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Compound Detail

CHEMBL3414924

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COc1cnc2ccc([C@@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3414924
Phase Preclinical
Structure Type MOL
InChI Key KAOXBGBUARKCMM-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
4.54
ALogP
7
HBA
0
HBD
78.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN5O2
MW 403.42
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 6.43 6.43 370.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Rattus norvegicus
CL - - Rattus norvegicus
F - % Rattus norvegicus
t1/2 - - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 370.0 nM 6.43 Inhibition of recombinant c-Met kinase domain (unknown origin) incubated for 30 ... 25699405

Literature References

PubMed DOI Target Context # Activities
25699405 10.1021/jm501913a Rattus norvegicus 5
25699405 10.1021/jm501913a Hepatocyte growth factor receptor 2

Data from ChEMBL 36 via Core Engine