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Compound Detail

CHEMBL3414929

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CC[C@@H](c1ccc2ncc(OC)cc2c1)c1nnc2c(F)cc(-c3cc(C)no3)cn12

Basic Information

ChEMBL ID CHEMBL3414929
Phase Preclinical
Structure Type MOL
InChI Key HDXFRCJMFMUEJJ-SFHVURJKSA-N
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
4.93
ALogP
7
HBA
0
HBD
78.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20FN5O2
MW 417.44
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.54

Activity Summary

IC50 2 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.55 7.36 28.0 2

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