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Compound Detail

CHEMBL1543054

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O=C(NCc1ccccc1)c1cccc(COc2ccc(Cl)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1543054
Phase Preclinical
Structure Type MOL
InChI Key OHRXLYKOUYOEKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.8
MW (Da)
4.85
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClNO2
MW 351.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.32

Activity Summary

EC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.58 6.58 261.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 261.0 nM 6.58 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... -

Data from ChEMBL 36 via Core Engine