Compound Detail

CHEMBL1421

DASATINIB ANHYDROUS

💊 Approved Drug

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💊 Approved Drug

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1421
Name	DASATINIB ANHYDROUS
Phase	Approved
Structure Type	MOL
InChI Key	ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

BMS-354825 Dasatinib (anhydrous) Dasatinib accord Dasatinib accordpharma Dasatinib anhydrous

Targets

173

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

488.0

MW (Da)

3.31

ALogP

HBA

HBD

106.5

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2006
Availability	Prescription
Chirality	Achiral

Routes of Administration

Oral

Flags

Natural Product First in Class

USAN Stem	-tinib
USAN Year	2005

Extended Properties

Molecular Formula	C22H26ClN7O2S
MW	488.02
Aromatic Rings	3
Heavy Atoms	33
NP-Likeness	-2.33

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase ABL inhibitor	INHIBITOR	Tyrosine-protein kinase ABL1	✓	✓
Platelet-derived growth factor receptor beta inhibitor	INHIBITOR	Platelet-derived growth factor receptor beta	✓	✓
Stem cell growth factor receptor inhibitor	INHIBITOR	Mast/stem cell growth factor receptor Kit	✓	✓
Ephrin type-A receptor 2 inhibitor	INHIBITOR	Ephrin type-A receptor 2	✓	✓
SRC inhibitor	INHIBITOR	SRC	✓	✓
Bcr/Abl fusion protein inhibitor	INHIBITOR	Bcr/Abl fusion protein	✓	✓

Indications

Leukemia, Myelogenous, Chronic, BCR-ABL Positive Leukemia, Myelogenous, Chronic, BCR-ABL Positive Neoplasms Neoplasms Neoplasms Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Leukemia Leukemia, Lymphoid Leukemia, Myeloid, Acute Prostatic Neoplasms Prostatic Neoplasms Aging Brain Diseases Brain Neoplasms Breast Neoplasms Breast Neoplasms Breast Neoplasms

ATC Classification

L01EA02

dasatinib

Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 125 meas. best 10.0

Kd 46 meas. best 8.62

EC50 2 meas. best 5.68

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	10.0	9.0409	0.1	35
BaF3 CHEMBL614524	IC50	9.52	8.1994	0.3	16
Ephrin type-A receptor 3 CHEMBL4954	IC50	9.52	9.52	0.3	1
Unchecked CHEMBL612545	IC50	9.22	8.4321	0.6	19
BCR/ABL1 CHEMBL4523652	IC50	9.1	9.1	0.8	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	9.1	6.665	0.8	8
Ephrin type-A receptor 8 CHEMBL4134	IC50	8.89	8.89	1.3	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	8.7	8.21	2.0	2
Ephrin type-B receptor 4 CHEMBL5147	IC50	8.68	8.68	2.1	1
Ephrin type-A receptor 5 CHEMBL3987	IC50	8.68	8.68	2.1	1
Unchecked CHEMBL612545	Kd	8.62	8.62	2.4	1
Ephrin type-B receptor 2 CHEMBL3290	IC50	8.57	8.57	2.7	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Kd	8.56	8.54	2.8	2
Tyrosine-protein kinase Lyn CHEMBL3905	IC50	8.55	8.455	2.8	2
Ephrin type-A receptor 2 CHEMBL2068	Kd	8.49	8.3167	3.3	3
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	8.44	8.42	3.6	2
Ephrin type-A receptor 5 CHEMBL3987	Kd	8.44	8.435	3.7	2
Tyrosine-protein kinase Yes CHEMBL2073	Kd	8.43	8.415	3.7	2
Tyrosine-protein kinase Fyn CHEMBL1841	Kd	8.43	8.415	3.7	2
Ephrin type-B receptor 4 CHEMBL5147	Kd	8.43	8.43	3.7	2
Ephrin type-B receptor 2 CHEMBL3290	Kd	8.41	8.405	3.9	2
Ephrin type-A receptor 4 CHEMBL3988	IC50	8.39	8.39	4.1	1
Ephrin type-A receptor 2 CHEMBL2068	IC50	8.35	8.35	4.5	1
Tyrosine-protein kinase FRK CHEMBL4223	Kd	8.34	8.32	4.6	2
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	8.33	8.315	4.7	2
Tyrosine-protein kinase Lck CHEMBL258	Kd	8.15	8.14	7.0	2
Ephrin type-A receptor 4 CHEMBL3988	Kd	8.14	8.14	7.3	2
Tyrosine-protein kinase Lyn CHEMBL3905	Kd	8.1	8.095	8.0	2
Ephrin type-A receptor 1 CHEMBL5810	Kd	7.83	7.825	14.8	2
Ephrin type-B receptor 3 CHEMBL4901	IC50	7.76	7.76	17.4	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	IC50	7.58	7.58	26.0	1
Tyrosine-protein kinase HCK CHEMBL3234	Kd	7.54	7.54	28.8	2
Ephrin type-B receptor 3 CHEMBL4901	Kd	7.54	7.54	28.8	2
Ephrin type-A receptor 1 CHEMBL5810	IC50	7.51	7.51	30.6	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	7.47	7.465	34.0	2
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	7.37	7.37	42.7	2
Discoidin domain-containing receptor 2 CHEMBL5122	IC50	7.27	7.27	54.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	7.26	6.315	55.0	8
Protein-tyrosine kinase 6 CHEMBL4601	IC50	7.26	7.26	55.0	2
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	7.16	7.155	70.0	2
Ephrin type-B receptor 6 CHEMBL5836	IC50	6.83	6.83	147.2	1
MDA-MB-231 CHEMBL400	IC50	6.8	6.8	157.0	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Kd	6.66	6.66	217.0	2
Myelin transcription factor 1 CHEMBL2331044	IC50	6.65	6.65	226.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	6.26	6.26	550.0	1
Epidermal growth factor receptor CHEMBL203	IC50	6.23	6.2	584.0	2
B16-F10 CHEMBL612656	IC50	6.13	5.2633	740.0	3
Mitogen-activated protein kinase 14 CHEMBL260	Kd	6.03	6.025	945.0	2
HepG2 CHEMBL395	IC50	6.0	4.9567	1010.0	3
Bcr/Abl fusion protein CHEMBL2096618	IC50	6.0	6.0	1000.0	6

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	3.6	hr	Homo sapiens
T1/2	2.55	hr	Homo sapiens
t1/2	-	-	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase ABL1	IC50	=	0.1	nM	10.0	Inhibition of GST tagged Abl M351T mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.2	nM	9.7	Inhibition of GST tagged Abl E255K mutant (unknown origin) assessed as inhibitio...	15930265
Ephrin type-A receptor 3	IC50	=	0.3	nM	9.52	Inhibition of Nano Luc-fused full length C-terminal EPHA3 (unknown origin) expre...	29928781
BaF3	IC50	=	0.3	nM	9.52	Antiproliferative activity against mouse BaF3 cells harbouring BCR-ABL1 Q252H mu...	21481795
Tyrosine-protein kinase ABL1	IC50	=	0.3	nM	9.52	Inhibition of GST tagged Abl G250E mutant (unknown origin) assessed as inhibitio...	15930265
BaF3	IC50	=	0.4	nM	9.4	Antiproliferative activity against native mouse BaF3 cells assessed as inhibitio...	21481795
Tyrosine-protein kinase ABL1	IC50	=	0.4	nM	9.4	Inhibition of GST tagged Abl Y253F mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.5	nM	9.3	Inhibition of GST tagged Abl H396P mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.5	nM	9.3	Inhibition of GST tagged Abl F311L mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.5	nM	9.3	Inhibition of human ABL1 H396P mutant (229 to 499 residues) using ABLtide as sub...	21481795
Tyrosine-protein kinase ABL1	IC50	=	0.5	nM	9.3	Inhibition of GST tagged Abl F359V mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.5	nM	9.3	Inhibition of GST tagged Abl L387M mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.6	nM	9.22	Inhibition of GST tagged WT Abl (unknown origin) assessed as inhibition of phosp...	15930265
Unchecked	IC50	=	0.6	nM	9.22	Inhibition of BCR-ABL H396P mutant (unknown origin) expressed in mouse BaF3 cell...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.6	nM	9.22	Inhibition of GST tagged Abl E255V mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.7	nM	9.15	Inhibition of GST tagged Abl V379I mutant (unknown origin) assessed as inhibitio...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.7	nM	9.15	Inhibition of human N-terminal his tagged phosphorylated native ABL1 (229 to 499...	21481795
Tyrosine-protein kinase ABL1	IC50	=	0.8	nM	9.1	Inhibition of GST tagged Abl H396R mutant (unknown origin) assessed as inhibitio...	15930265
Proto-oncogene tyrosine-protein kinase Src	IC50	=	0.8	nM	9.1	Inhibition of GST tagged Src (unknown origin) assessed as inhibition of phosphor...	15930265
Tyrosine-protein kinase ABL1	IC50	=	0.8	nM	9.1	Inhibition of GST tagged Abl M244V mutant (unknown origin) assessed as inhibitio...	15930265

Literature References

PubMed	DOI	Target Context	# Activities
15930265	10.1158/0008-5472.can-05-0259	Unchecked	101
-	10.5281/zenodo.13943903	ADMET	60
15930265	10.1158/0008-5472.can-05-0259	Tyrosine-protein kinase ABL1	35
37690263	10.1016/j.ejmech.2023.115787	HepG2	16
21481795	10.1016/j.ccr.2011.03.003	BaF3	16
21481795	10.1016/j.ccr.2011.03.003	Tyrosine-protein kinase ABL1	15
38070430	10.1016/j.ejmech.2023.116009	MDA-MB-231	14
26254279	10.18632/oncotarget.4214	Proto-oncogene tyrosine-protein kinase Src	9
26254279	10.18632/oncotarget.4214	Bcr/Abl fusion protein	9
26254279	10.18632/oncotarget.4214	Mast/stem cell growth factor receptor Kit	9
38323982	10.1021/acs.jmedchem.3c01934	Osimertinib-resistant NCI-H1975 cell	6
37690263	10.1016/j.ejmech.2023.115787	B16-F10	5
38171149	10.1016/j.ejmech.2023.116100	A549	4
37690263	10.1016/j.ejmech.2023.115787	ADMET	4
38171149	10.1016/j.ejmech.2023.116100	Unchecked	4
29928781	10.1002/cmdc.201800398	Ephrin type-A receptor 2	4
38070430	10.1016/j.ejmech.2023.116009	Proto-oncogene tyrosine-protein kinase Src	4
29928781	10.1002/cmdc.201800398	Ephrin type-B receptor 6	3
29928781	10.1002/cmdc.201800398	Ephrin type-B receptor 2	3
29928781	10.1002/cmdc.201800398	Ephrin type-B receptor 4	3

Data from ChEMBL 36 via Core Engine