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Compound Detail

CHEMBL3786314

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COc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1

Basic Information

ChEMBL ID CHEMBL3786314
Phase Preclinical
Structure Type MOL
InChI Key GFVGQIFEENPJSC-GFCCVEGCSA-N
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
3.16
ALogP
9
HBA
0
HBD
100.3
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 C21H17FN6O3
MW 420.40
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.58

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.7 8.5 2.0 2

Pharmacokinetic Data

Parameter Value Units Species
CL 7.667 mL.min-1.kg-1 Rattus norvegicus
F 31.0 % Rattus norvegicus
T1/2 1.1 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26812066 10.1021/acs.jmedchem.5b01716 Rattus norvegicus 4
26812066 10.1021/acs.jmedchem.5b01716 Hepatocyte growth factor receptor 2

Data from ChEMBL 36 via Core Engine