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Compound Detail

CHEMBL1388738

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Cl.O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1

Basic Information

ChEMBL ID CHEMBL1388738
Phase Preclinical
Structure Type MOL
InChI Key MOMYNTLFJILYDI-UHFFFAOYSA-N
Parent Compound CHEMBL1082354
Active Moiety CHEMBL1082354
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.37
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.67
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 C8H6ClN3O3S2
MW 291.74
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -3.15

Activity Summary

EC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.16 7.16 69.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 69.0 nM 7.16 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... -

Data from ChEMBL 36 via Core Engine