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Compound Detail

CHEMBL3301622

GILTERITINIB
💊 Approved Drug
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💊 Approved Drug
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1

Basic Information

ChEMBL ID CHEMBL3301622
Name GILTERITINIB
Phase Approved
Structure Type MOL
InChI Key GYQYAJJFPNQOOW-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Asp-2215 ASP2215 Gilteritinib
97
Targets
171
Activities
4
Assay Types
0
PK Parameters
20
Publications
3
Known Names
8
Indications
2
Mechanisms

Molecular Properties

552.7
MW (Da)
2.70
ALogP
10
HBA
3
HBD
121.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2018
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning Natural Product
USAN Stem -tinib
USAN Year 2014

Extended Properties

Molecular Formula C29H44N8O3
MW 552.72
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -1.10

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tyrosine-protein kinase receptor FLT3 inhibitor INHIBITOR Receptor-type tyrosine-protein kinase FLT3
Tyrosine-protein kinase receptor UFO inhibitor INHIBITOR Tyrosine-protein kinase receptor UFO

Indications

Neoplasms Leukemia, Myeloid Leukemia, Myeloid, Acute Myelodysplastic Syndromes Carcinoma, Non-Small-Cell Lung Kidney Diseases Leukemia Liver Diseases

ATC Classification

L01EX13
gilteritinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 85 meas. best 9.8
Kd 82 meas. best 8.22
Ki 3 meas. best 8.7
EC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 9.8 8.6988 0.2 25
Leukocyte tyrosine kinase receptor
CHEMBL5627
IC50 9.46 9.46 0.3 1
BaF3
CHEMBL614524
IC50 9.32 8.94 0.5 10
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 9.14 8.5033 0.7 18
MOLM-13
CHEMBL3706572
IC50 9.11 6.7175 0.8 4
MV4-11
CHEMBL613835
IC50 9.05 8.482 0.9 5
ALK tyrosine kinase receptor
CHEMBL4247
IC50 8.92 8.8867 1.2 3
Unchecked
CHEMBL612545
IC50 8.85 7.0633 1.4 3
EML4-ALK
CHEMBL3883330
IC50 8.82 8.53 1.5 2
MOLM-14
CHEMBL3706570
IC50 8.74 8.085 1.8 4
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
IC50 8.72 8.72 1.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 8.7 8.35 2.0 2
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
IC50 8.47 8.47 3.4 1
Serine/threonine-protein kinase ULK3
CHEMBL5047
Kd 8.22 8.22 6.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Kd 8.15 8.15 7.0 1
Interleukin-1 receptor-associated kinase 3
CHEMBL5081
Kd 8.15 8.15 7.0 1
TEL/AXL
CHEMBL4523666
IC50 8.07 8.07 8.5 1
Cyclin-G-associated kinase
CHEMBL4355
Kd 8.05 8.05 9.0 1
Uncharacterized protein FLJ45252
CHEMBL4105933
Kd 7.96 7.96 11.0 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Kd 7.75 7.75 18.0 1
AP2-associated protein kinase 1
CHEMBL3830
Kd 7.6 7.6 25.0 1
Non-receptor tyrosine-protein kinase TNK1
CHEMBL5334
Kd 7.41 7.41 39.0 1
Activin receptor type-1
CHEMBL5903
Kd 7.41 7.41 39.0 1
BMP-2-inducible protein kinase
CHEMBL4522
Kd 7.34 7.34 46.0 1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CHEMBL2349
Kd 7.32 7.32 48.0 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Kd 7.3 7.3 50.0 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Kd 7.17 7.17 68.0 1
Mitogen-activated protein kinase kinase kinase kinase 1
CHEMBL5749
Kd 6.97 6.97 108.0 1
Bone morphogenetic protein receptor type-1A
CHEMBL5275
Kd 6.92 6.92 121.0 1
Serine/threonine-protein kinase 10
CHEMBL3981
Kd 6.83 6.83 149.0 1
AarF domain-containing protein kinase 1
CHEMBL4105885
Kd 6.82 6.82 152.0 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Kd 6.77 6.77 169.0 1
Aurora kinase A
CHEMBL4722
Kd 6.74 6.74 184.0 1
Myosin light chain kinase, smooth muscle
CHEMBL2428
Kd 6.73 6.73 188.0 1
Tyrosine-protein kinase Fer
CHEMBL3982
Kd 6.73 6.73 188.0 1
Mitotic checkpoint serine/threonine-protein kinase BUB1
CHEMBL1772932
Kd 6.72 6.72 191.0 1
Cytochrome c1, heme protein, mitochondrial
CHEMBL4105975
Kd 6.7 6.7 202.0 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Kd 6.7 6.7 202.0 1
MM1.S
CHEMBL4296471
IC50 6.69 6.69 203.5 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Kd 6.68 6.68 207.0 1
Long-chain-fatty-acid--CoA ligase 5
CHEMBL4105818
Kd 6.68 6.68 208.0 1
Serine/threonine-protein kinase LATS1
CHEMBL6167
Kd 6.66 6.66 221.0 1
SARS-CoV-2
CHEMBL4303835
EC50 6.65 6.65 225.0 1
SARS-CoV-2
CHEMBL4303835
IC50 6.65 5.97 225.0 3
Serine/threonine-protein kinase 24
CHEMBL5082
Kd 6.64 6.64 230.0 1
Ephrin type-B receptor 6
CHEMBL5836
Kd 6.62 6.62 241.0 1
Serine/threonine-protein kinase Nek2
CHEMBL3835
Kd 6.61 6.61 247.0 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Kd 6.61 6.61 244.0 1
Mitogen-activated protein kinase 15
CHEMBL5198
Kd 6.58 6.58 263.0 1
Serine/threonine-protein kinase 16
CHEMBL3938
Kd 6.53 6.53 295.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.16 nM 9.8 Inhibition of FLT3 D835Y mutant (unknown origin) 32659083
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.187 nM 9.73 Inhibition of FLT3 D835Y mutant (unknown origin) 37731695
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.2 nM 9.7 Inhibition of wild type FLT3 (unknown origin) 32659083
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.199 nM 9.7 Inhibition of FLT3 ITD mutant (unknown origin) 37731695
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.29 nM 9.54 Inhibition of N-terminal GST-tagged human FLT3 (564 to 993 residues) cytoplasmic... 31207462
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.29 nM 9.54 Inhibition of FLT3 expressed in human SEMK2 cells assessed as reduction in FLT3 ... 32272419
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.29 nM 9.54 Inhibition of Flt3 (unknown origin) 33539089
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.29 nM 9.54 Inhibition of FLT3 (unknown origin) 33719439
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.29 nM 9.54 Inhibition of FLT3 (unknown origin) in presence of ATP 33719439
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.29 nM 9.54 Inhibition of FLT3 (unknown origin) 35923716
Leukocyte tyrosine kinase receptor IC50 = 0.35 nM 9.46 Inhibition of LTK (unknown origin) in presence of ATP 33719439
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.41 nM 9.39 Inhibition Assay: A partial protein of only a kinase domain of FLT3 protein was ... -
Receptor-type tyrosine-protein kinase FLT3 IC50 = 0.41 nM 9.39 Inhibition Assay: A partial protein of only a kinase domain of FLT3 protein was ... -
BaF3 IC50 = 0.48 nM 9.32 Antiproliferative activity against mouse BaF3 cells harboring FLT3-ITD-D835Y mut... 37838343
BaF3 IC50 = 0.6 nM 9.22 Antiproliferative activity against mouse BaF3 cells harboring FLT3-ITD mutant as... 37838343
BaF3 IC50 = 0.62 nM 9.21 Antiproliferative activity against mouse BaF3 cells harboring FLT3-D835V mutant ... 37838343
BaF3 IC50 = 0.66 nM 9.18 Antiproliferative activity against mouse BaF3 cells harboring FLT3-D835F mutant ... 37838343
BaF3 IC50 = 0.7 nM 9.15 Antiproliferative activity against mouse BaF3 FLT3-D835 cells assessed as reduct... 32659083
Tyrosine-protein kinase receptor UFO IC50 = 0.73 nM 9.14 Inhibition of AXL (unknown origin) in presence of ATP 33719439
Tyrosine-protein kinase receptor UFO IC50 = 0.73 nM 9.14 Inhibition of AXL (unknown origin) 33719439

Literature References

PubMed DOI Target Context # Activities
38007910 10.1016/j.ejmech.2023.115974 MV4-11 15
37535845 10.1021/acs.jmedchem.3c00575 Receptor-type tyrosine-protein kinase FLT3 8
34324343 10.1021/acs.jmedchem.1c00459 BaF3 6
37838343 10.1016/j.bmcl.2023.129519 BaF3 5
29191878 10.1126/science.aan4368 Unchecked 4
36518702 10.1021/acsmedchemlett.2c00402 Receptor-type tyrosine-protein kinase FLT3 4
32272419 10.1016/j.ejmech.2020.112205 MOLM-14 4
32659083 10.1021/acs.jmedchem.0c00696 Receptor-type tyrosine-protein kinase FLT3 3
39143914 10.1021/acs.jmedchem.4c00361 Receptor-type tyrosine-protein kinase FLT3 3
37731695 10.1039/d3md00192j Receptor-type tyrosine-protein kinase FLT3 3
37535845 10.1021/acs.jmedchem.3c00575 MOLM-13 3
38056299 10.1016/j.ejmech.2023.115977 MOLM-14 3
38655686 10.1021/acs.jmedchem.4c00051 MOLM-13 3
32659083 10.1021/acs.jmedchem.0c00696 BaF3 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
35923716 10.1039/d2md00067a BaF3 2
33719439 10.1021/acs.jmedchem.0c01851 BaF3 2
33719439 10.1021/acs.jmedchem.0c01851 Tyrosine-protein kinase receptor UFO 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2

Data from ChEMBL 36 via Core Engine