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Compound Detail

CHEMBL6024302

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COC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3C#N)CC2)cc1F

Basic Information

ChEMBL ID CHEMBL6024302
Phase Preclinical
Structure Type MOL
InChI Key WJRHMCNOLMTJKY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.4
MW (Da)
5.96
ALogP
5
HBA
0
HBD
62.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25Cl2FN2O3
MW 491.39
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.30

Activity Summary

IC50 3 meas. best 8.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.08 7.05 8.4 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine