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Compound Detail

CHEMBL1427854

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Cc1cnc(NC(=O)c2c(Cl)cnn2C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1427854
Phase Preclinical
Structure Type MOL
InChI Key DDGPIMRGPVTWMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

256.7
MW (Da)
2.09
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.90
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 C9H9ClN4OS
MW 256.72
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.96

Activity Summary

EC50 1 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aryl hydrocarbon receptor
CHEMBL3201
 EC50 5.23 5.23 5872.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aryl hydrocarbon receptor EC50 = 5872.0 nM 5.23 PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... -

Data from ChEMBL 36 via Core Engine