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Compound Detail

CHEMBL5770375

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CN(C)/C(=C/OC1(C#N)C=CC=CC1)C(=O)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5770375
Phase Preclinical
Structure Type MOL
InChI Key DANLQFHAYKDMKA-FOWTUZBSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
3.72
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O2
MW 328.80
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.11

Activity Summary

EC50 2 meas. best 10.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
 EC50 10.74 10.74 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 11B1, mitochondrial EC50 = 0.018 nM 10.74 Inhibition Assay: G-402 cells can be obtained from ATCC (CRL-1440) and were orig... -

Data from ChEMBL 36 via Core Engine