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Compound Detail

CHEMBL2369174

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N=C(N)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2369174
Phase Preclinical
Structure Type MOL
InChI Key AVQVQPZTILIIJJ-UUILKARUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

241.6
MW (Da)
1.07
ALogP
4
HBA
3
HBD
117.4
PSA (Ų)
0.32
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 C8H8ClN5O2
MW 241.64
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -2.08

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