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Compound Detail

CHEMBL3414928

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COc1cnc2ccc(C3(c4nnc5c(F)cc(-c6cc(C)no6)cn45)CC3)cc2c1

Basic Information

ChEMBL ID CHEMBL3414928
Phase Preclinical
Structure Type MOL
InChI Key URCNGWOVLTUSRQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
4.47
ALogP
7
HBA
0
HBD
78.3
PSA (Ų)
0.43
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 C23H18FN5O2
MW 415.43
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.03 7.03 93.0 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

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