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Compound Detail

CHEMBL1546827

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Cn1nc([N+](=O)[O-])nc1Sc1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL1546827
Phase Preclinical
Structure Type MOL
InChI Key WUUWZNYCOIKROK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.7
MW (Da)
2.53
ALogP
6
HBA
0
HBD
73.8
PSA (Ų)
0.63
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 C9H7ClN4O2S
MW 270.70
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.14

Activity Summary

EC50 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.97 6.97 108.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 108.0 nM 6.97 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -

Data from ChEMBL 36 via Core Engine