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Compound Detail

CHEMBL5827486

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CC(=O)c1ccccc1Nc1c(O)ccc(C)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5827486
Phase Preclinical
Structure Type MOL
InChI Key BLPMYBUALHCWOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.7
MW (Da)
4.30
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClNO2
MW 275.74
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.3 6.3 504.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 504.0 nM 6.3 The FP assay: The FP assay was then adapted for HTS and used to screen a ˜120,00... -

Data from ChEMBL 36 via Core Engine