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Compound Detail

CHEMBL3561490

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O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(O)c2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3561490
Phase Preclinical
Structure Type MOL
InChI Key NUTABFFJSOFIGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.7
MW (Da)
3.95
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11ClN2O3
MW 314.73
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.37 6.37 423.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 423.0 nM 6.37 PubChem BioAssay. Dry powder Dose response confirmation of uHTS inhibitor hits ... -

Data from ChEMBL 36 via Core Engine