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Compound Detail

CHEMBL3195762

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O=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3195762
Phase Preclinical
Structure Type MOL
InChI Key DFCLAOOVFIWIBJ-CXUHLZMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
1.79
ALogP
7
HBA
3
HBD
99.7
PSA (Ų)
0.39
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 C15H12N4O3
MW 296.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.85

Activity Summary

EC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.85 4.85 14269.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 14269.0 nM 4.85 PUBCHEM_BIOASSAY: Luminescence-based Microorganism Dose Response HTS to Identify... -

Data from ChEMBL 36 via Core Engine