Compound Detail

CHEMBL2107358

OBATOCLAX MESYLATE

🧪 Phase III

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🧪 Phase III

COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C.CS(=O)(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2107358
Name	OBATOCLAX MESYLATE
Phase	Phase III
Structure Type	MOL
InChI Key	ZFKXDVMHNXPEIY-PEZBNFGJSA-N
Parent Compound	CHEMBL408194
Active Moiety	CHEMBL408194

Known Names

GX-15-070MS GX15-070MS Obatoclax mesilate Obatoclax mesylate

654

Targets

663

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

317.4

MW (Da)

4.49

ALogP

HBA

HBD

53.2

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-toclax
USAN Year	2005

Extended Properties

Molecular Formula	C21H23N3O4S
MW	413.50
Aromatic Rings	3
Heavy Atoms	24
NP-Likeness	-0.15

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Apoptosis regulator Bcl-2 inhibitor	INHIBITOR	Apoptosis regulator Bcl-2	✓	✓
Apoptosis regulator Bcl-X inhibitor	INHIBITOR	Bcl-2-like protein 1	✓	✓
Apoptosis regulator Bcl-W inhibitor	INHIBITOR	Bcl-2-like protein 2	✓	✓
Induced myeloid leukemia cell differentiation protein Mcl-1 inhibitor	INHIBITOR	Induced myeloid leukemia cell differentiation protein Mcl-1	✓	✓
Bcl-2-related protein A1 inhibitor	INHIBITOR	Bcl-2-related protein A1	✓	✓
Bcl-2-like protein 10 inhibitor	INHIBITOR	Bcl-2-like protein 10	✓	✓

Indications

Small Cell Lung Carcinoma Hodgkin Disease Lymphoma, Follicular Myelodysplastic Syndromes Primary Myelofibrosis Hematologic Neoplasms Leukemia, Lymphocytic, Chronic, B-Cell Leukemia, Lymphoid Leukemia, Prolymphocytic Lung Neoplasms Lymphoma, Large B-Cell, Diffuse Lymphoma, Mantle-Cell Lymphoma, Non-Hodgkin Melanoma Multiple Myeloma

Activity Summary

IC50 663 meas. best 10.5

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
KARPAS-45 CHEMBL2366305	IC50	10.5	10.5	0.0	1
SK-MEL-30 CHEMBL1075577	IC50	9.45	9.45	0.4	1
NALM-6 CHEMBL614187	IC50	9.45	9.45	0.4	1
KYSE-450 CHEMBL1075488	IC50	9.33	9.33	0.5	1
BHY CHEMBL1075399	IC50	9.22	9.22	0.6	1
GR-ST CHEMBL2366111	IC50	9.19	9.19	0.6	1
786-0 CHEMBL613102	IC50	9.11	9.11	0.8	1
C-33-A CHEMBL2366313	IC50	9.07	9.07	0.8	1
BHT-101 CHEMBL1075398	IC50	8.97	8.97	1.1	1
EB2 CHEMBL2366338	IC50	8.93	8.93	1.2	1
G-361 CHEMBL614036	IC50	8.91	8.91	1.2	1
KE-37 CHEMBL2366287	IC50	8.89	8.89	1.3	1
MHH-PREB-1 CHEMBL2366127	IC50	8.85	8.85	1.4	1
MCF7 CHEMBL387	IC50	8.8	8.8	1.6	1
EW-7 CHEMBL2366112	IC50	8.76	8.76	1.8	1
LOUCY CHEMBL2366252	IC50	8.76	8.76	1.8	1
KYSE-510 CHEMBL613868	IC50	8.63	8.63	2.3	1
SK-MEL3 CHEMBL614920	IC50	8.58	8.58	2.6	1
HAL-01 CHEMBL2366142	IC50	8.53	8.53	3.0	1
HCC 2998 CHEMBL613855	IC50	8.47	8.47	3.3	1
A-375 CHEMBL613859	IC50	8.46	8.46	3.5	1
MZ7-mel CHEMBL2366138	IC50	8.4	8.4	4.0	1
SH-4 CHEMBL2366309	IC50	8.38	8.38	4.2	1
HT-144 CHEMBL2366291	IC50	8.37	8.37	4.3	1
KYSE-140 CHEMBL1075484	IC50	8.36	8.36	4.3	1
PSN1 CHEMBL614241	IC50	8.33	8.33	4.7	1
COLO-679 CHEMBL1075426	IC50	8.3	8.3	5.0	1
SW-620 CHEMBL612262	IC50	8.29	8.29	5.1	1
HGC-27 CHEMBL1075463	IC50	8.28	8.28	5.2	1
IGR-1 CHEMBL1075479	IC50	8.22	8.22	6.0	1
IGROV-1 CHEMBL613984	IC50	8.22	8.22	6.0	1
EW-1 CHEMBL2366364	IC50	8.19	8.19	6.5	1
769-P CHEMBL1075385	IC50	8.17	8.17	6.8	1
HN CHEMBL1075465	IC50	8.17	8.17	6.8	1
SIG-M5 CHEMBL2366251	IC50	8.15	8.15	7.1	1
IST-MEL1 CHEMBL2366094	IC50	8.09	8.09	8.2	1
ST486 CHEMBL2366293	IC50	8.08	8.08	8.2	1
BB30-HNC CHEMBL2366271	IC50	8.07	8.07	8.6	1
ES7 CHEMBL2366297	IC50	8.07	8.07	8.5	1
GAK CHEMBL2366301	IC50	8.07	8.07	8.5	1
IPC-298 CHEMBL1075480	IC50	8.03	8.03	9.3	1
NKM-1 CHEMBL2366133	IC50	8.01	8.01	9.7	1
RKO CHEMBL614879	IC50	7.98	7.98	10.4	1
ACN CHEMBL2366195	IC50	7.95	7.95	11.3	1
SW1417 CHEMBL1075588	IC50	7.91	7.91	12.2	1
SR CHEMBL614300	IC50	7.91	7.91	12.3	1
SNG-M CHEMBL1075582	IC50	7.88	7.88	13.2	1
CAL-12T CHEMBL1075406	IC50	7.87	7.87	13.5	1
HSC-3 CHEMBL612279	IC50	7.87	7.87	13.6	1
DOHH-2 CHEMBL2366181	IC50	7.85	7.85	14.1	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
KARPAS-45	IC50	=	0.03172	nM	10.5	SANGER: Inhibition of human KARPAS-45 cell growth in a cell viability assay.	-
SK-MEL-30	IC50	=	0.3552	nM	9.45	SANGER: Inhibition of human SK-MEL-30 cell growth in a cell viability assay.	-
NALM-6	IC50	=	0.3556	nM	9.45	SANGER: Inhibition of human NALM-6 cell growth in a cell viability assay.	-
KYSE-450	IC50	=	0.469	nM	9.33	SANGER: Inhibition of human KYSE-450 cell growth in a cell viability assay.	-
BHY	IC50	=	0.6007	nM	9.22	SANGER: Inhibition of human BHY cell growth in a cell viability assay.	-
GR-ST	IC50	=	0.648	nM	9.19	SANGER: Inhibition of human GR-ST cell growth in a cell viability assay.	-
786-0	IC50	=	0.776	nM	9.11	SANGER: Inhibition of human 786-0 cell growth in a cell viability assay.	-
C-33-A	IC50	=	0.8482	nM	9.07	SANGER: Inhibition of human C-33-A cell growth in a cell viability assay.	-
BHT-101	IC50	=	1.063	nM	8.97	SANGER: Inhibition of human BHT-101 cell growth in a cell viability assay.	-
EB2	IC50	=	1.183	nM	8.93	SANGER: Inhibition of human EB2 cell growth in a cell viability assay.	-
G-361	IC50	=	1.24	nM	8.91	SANGER: Inhibition of human G-361 cell growth in a cell viability assay.	-
KE-37	IC50	=	1.279	nM	8.89	SANGER: Inhibition of human KE-37 cell growth in a cell viability assay.	-
MHH-PREB-1	IC50	=	1.4	nM	8.85	SANGER: Inhibition of human MHH-PREB-1 cell growth in a cell viability assay.	-
MCF7	IC50	=	1.589	nM	8.8	SANGER: Inhibition of human MCF7 cell growth in a cell viability assay.	-
LOUCY	IC50	=	1.752	nM	8.76	SANGER: Inhibition of human LOUCY cell growth in a cell viability assay.	-
EW-7	IC50	=	1.754	nM	8.76	SANGER: Inhibition of human EW-7 cell growth in a cell viability assay.	-
KYSE-510	IC50	=	2.329	nM	8.63	SANGER: Inhibition of human KYSE-510 cell growth in a cell viability assay.	-
SK-MEL3	IC50	=	2.641	nM	8.58	SANGER: Inhibition of human SK-MEL-3 cell growth in a cell viability assay.	-
HAL-01	IC50	=	2.968	nM	8.53	SANGER: Inhibition of human HAL-01 cell growth in a cell viability assay.	-
HCC 2998	IC50	=	3.348	nM	8.47	SANGER: Inhibition of human HCC2998 cell growth in a cell viability assay.	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL1201861	ES1	1
-	10.6019/CHEMBL1201861	NCI-H1793	1
-	10.6019/CHEMBL1201861	EC-GI-10	1
-	10.6019/CHEMBL1201861	EB2	1
-	10.6019/CHEMBL1201861	EB-3	1
-	10.6019/CHEMBL1201861	DoTc2-4510	1
-	10.6019/CHEMBL1201861	Detroit 562	1
-	10.6019/CHEMBL1201861	Daudi	1
-	10.6019/CHEMBL1201861	ES3	1
-	10.6019/CHEMBL1201861	ES5	1
-	10.6019/CHEMBL1201861	ES4	1
20192224	10.1021/jm100009z	Bcl-2-like protein 1	1
-	10.6019/CHEMBL1201861	EM-2	1
-	10.6019/CHEMBL1201861	EKVX	1
-	10.6019/CHEMBL1201861	EHEB	1
-	10.6019/CHEMBL1201861	DU-4475	1
-	10.6019/CHEMBL1201861	DU-145	1
-	10.6019/CHEMBL1201861	Daoy	1
-	10.6019/CHEMBL1201861	DV-90	1
-	10.6019/CHEMBL1201861	DSH1	1

Data from ChEMBL 36 via Core Engine