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Compound Detail

CHEMBL3190340

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Cc1cc(=O)n2c(n1)/C(=N\Nc1ccccc1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3190340
Phase Preclinical
Structure Type MOL
InChI Key RATDWVDVSQDWCF-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
0.45
ALogP
6
HBA
2
HBD
88.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N5O2
MW 269.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.20

Activity Summary

EC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
 EC50 6.43 6.43 374.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-binding protein pos-1 EC50 = 374.0 nM 6.43 PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... -

Data from ChEMBL 36 via Core Engine