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Compound Detail

CHEMBL5722969

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Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5cc4F)c3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5722969
Phase Preclinical
Structure Type MOL
InChI Key JLNMOXLBPUEIPE-UHFFFAOYSA-N
2
Targets
16
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.36
ALogP
8
HBA
0
HBD
87.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13FN8
MW 360.36
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -2.26

Activity Summary

IC50 8 meas. best 9.05
Ki 8 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 9.05 8.524 0.9 5
Unchecked
CHEMBL612545
 IC50 8.92 8.7633 1.2 3
Hepatocyte growth factor receptor
CHEMBL3717
 Ki 8.4 7.2217 4.0 6
Unchecked
CHEMBL612545
 Ki 7.77 7.605 17.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 0.9 nM 9.05 Inhibition of wild type endogenous c-Met in human A549 cells assessed as reducti... 19459657
Unchecked IC50 = 1.2 nM 8.92 Inhibition of endogenous c-Met T1010I mutant in human HOP-92 cells assessed as r... 19459657
Hepatocyte growth factor receptor IC50 = 1.3 nM 8.89 Inhibition of wild type human c-Met expressed in human T47D cells assessed as re... 19459657
Unchecked IC50 = 1.7 nM 8.77 Inhibition of endogenous c-Met R988C mutant in human NCI-H69 cells assessed as r... 19459657
Hepatocyte growth factor receptor IC50 = 1.7 nM 8.77 Inhibition of wild type human c-Met expressed in mouse 3T3 cells assessed as red... 19459657
Unchecked IC50 = 2.5 nM 8.6 Inhibition of human c-Met V1021I mutant expressed in mouse 3T3 cells assessed as... 19459657
Hepatocyte growth factor receptor IC50 = 2.8 nM 8.55 Inhibition of human c-Met M1250T mutant expressed in mouse 3T3 cells assessed as... 19459657
Hepatocyte growth factor receptor Ki = 4.0 nM 8.4 Inhibition of His6-tagged wild type human c-Met expressed in Sf9 cells using (Gl... 19459657
Hepatocyte growth factor receptor Ki = 9.0 nM 8.05 Inhibition of His6-tagged human c-Met H1094R mutant expressed in Sf9 cells pre-i... 19459657
Unchecked Ki = 17.0 nM 7.77 Inhibition of His6-tagged human c-Met M1131T mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 19.0 nM 7.72 Inhibition of un -tagged wild type human c-Met expressed in Sf9 cells pre-incuba... 19459657
Unchecked Ki = 36.0 nM 7.44 Inhibition of His6-tagged human c-Met V1220I mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor IC50 = 44.0 nM 7.36 Inhibition of human c-Met Y1235D mutant expressed in human T47D cells assessed a... 19459657
Hepatocyte growth factor receptor Ki = 66.0 nM 7.18 Inhibition of His6-tagged human c-Met Y1235D mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 245.0 nM 6.61 Inhibition of His6-tagged human c-Met L1195V mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 4300.0 nM 5.37 Inhibition of His6-tagged human c-Met Y1230H mutant expressed in Sf9 cells pre-i... 19459657

Literature References

PubMed DOI Target Context # Activities
19459657 10.1021/bi900438w Hepatocyte growth factor receptor 15
19459657 10.1021/bi900438w Unchecked 5

Data from ChEMBL 36 via Core Engine