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Compound Detail

CHEMBL1342833

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O=C(NCc1ccc(Cl)cc1)c1n[nH]c([N+](=O)[O-])c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1342833
Phase Preclinical
Structure Type MOL
InChI Key APWLSOMMVQHYQM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.1
MW (Da)
2.55
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8Cl2N4O3
MW 315.12
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.80

Activity Summary

EC50 1 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.91 6.91 123.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 123.0 nM 6.91 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... -

Data from ChEMBL 36 via Core Engine