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Compound Detail

CHEMBL1614710

OSI-930
Phase I
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Phase I
O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1614710
Name OSI-930
Phase Phase I
Structure Type MOL
InChI Key FGTCROZDHDSNIO-UHFFFAOYSA-N

Known Names

Osi 930 Osi-930
8
Targets
15
Activities
3
Assay Types
1
PK Parameters
20
Publications
2
Known Names
1
Indications
2
Mechanisms

Molecular Properties

443.4
MW (Da)
6.06
ALogP
5
HBA
2
HBD
63.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C22H16F3N3O2S
MW 443.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.74

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Stem cell growth factor receptor inhibitor INHIBITOR Mast/stem cell growth factor receptor Kit ✓ ✓
Vascular endothelial growth factor receptor inhibitor INHIBITOR Vascular endothelial growth factor receptor ✓ ✓

Indications

Neoplasms

Activity Summary

IC50 11 meas. best 8.3
Kd 3 meas. best 6.41
Ki 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.3 8.055 5.0 4
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 8.0 7.5467 10.0 3
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
 IC50 7.82 7.605 15.0 2
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 7.82 7.74 15.0 2
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Kd 6.41 6.41 388.0 1
Receptor-interacting serine/threonine-protein kinase 3
CHEMBL1795199
 Kd 5.77 5.77 1696.0 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
 Kd 5.11 5.11 7731.0 1
Cytochrome P450 3A4
CHEMBL340
 Ki 4.62 4.62 24000.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 1700.0 nM Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 5.0 nM 8.3 Inhibition of KDR 21920748
Vascular endothelial growth factor receptor 2 IC50 = 9.0 nM 8.05 Inhibition of VEGFR2 23098265
Vascular endothelial growth factor receptor 2 IC50 = 9.0 nM 8.05 Inhibition of VEGFR2 (unknown origin) 21363918
Mast/stem cell growth factor receptor Kit IC50 = 10.0 nM 8.0 Inhibition of c-Kit 23098265
Vascular endothelial growth factor receptor 2 IC50 = 15.0 nM 7.82 Inhibition of KDR (unknown origin) using peptide as substrate incubated for 90 m... 36335744
RAF proto-oncogene serine/threonine-protein kinase IC50 = 15.0 nM 7.82 Inhibition of c-RAF (unknown origin) 36335744
Tyrosine-protein kinase Lck IC50 = 15.0 nM 7.82 Inhibition of LCK (unknown origin) 36335744
Tyrosine-protein kinase Lck IC50 = 22.0 nM 7.66 Inhibition of LCK 23098265
Mast/stem cell growth factor receptor Kit IC50 = 29.0 nM 7.54 Inhibition of c-Kit 21920748
RAF proto-oncogene serine/threonine-protein kinase IC50 = 41.0 nM 7.39 Inhibition of c-Raf 23098265
Mast/stem cell growth factor receptor Kit IC50 = 80.0 nM 7.1 Inhibition of N-terminal GST-tagged recombinant kit (unknown origin) using poly(... -
Proto-oncogene tyrosine-protein kinase receptor Ret Kd = 388.0 nM 6.41 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Receptor-interacting serine/threonine-protein kinase 3 Kd = 1696.0 nM 5.77 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase 20 Kd = 7731.0 nM 5.11 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Cytochrome P450 3A4 Ki = 24000.0 nM 4.62 Inhibition of human His-tagged CYP3A4 expressed in Escherichia coli TOPP3 using ... 21068193

Literature References

PubMed DOI Target Context # Activities
21068193 10.1124/dmd.110.034074 Cytochrome P450 3A4 16
21363918 10.1158/0008-5472.can-10-3126 Pancreatic islet cell carcinoma 8
21068193 10.1124/dmd.110.034074 Cytochrome P450 3A5 6
29191878 10.1126/science.aan4368 Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
21068193 10.1124/dmd.110.034074 Cytochrome P450 2B6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21068193 10.1124/dmd.110.034074 Cytochrome P450 2D6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
21068193 10.1124/dmd.110.034074 Homo sapiens 1
- 10.1039/C5MD00127G Mast/stem cell growth factor receptor Kit 1
29191878 10.1126/science.aan4368 AP2-associated protein kinase 1 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1
21363918 10.1158/0008-5472.can-10-3126 Vascular endothelial growth factor receptor 2 1
23098265 10.1021/jm301085w Mast/stem cell growth factor receptor Kit 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 1 1
23098265 10.1021/jm301085w Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine