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Compound Detail

CHEMBL5784706

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COc1ccccc1C(=O)/C(=C\N(C)C)Oc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5784706
Phase Preclinical
Structure Type MOL
InChI Key WYFRALRYKRAZGD-SFQUDFHCSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.8
MW (Da)
4.01
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClNO3
MW 331.80
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.66

Activity Summary

EC50 4 meas. best 10.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
 EC50 10.92 10.92 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 11B1, mitochondrial EC50 = 0.012 nM 10.92 Inhibition Assay: G-402 cells can be obtained from ATCC (CRL-1440) and were orig... -

Data from ChEMBL 36 via Core Engine