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Compound Detail

CHEMBL1497897

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C=CCn1c(SCc2nc(O)c3ccccc3n2)nnc1-c1cc2cc(Cl)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1497897
Phase Preclinical
Structure Type MOL
InChI Key GVEJYMKBBLLBFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
5.47
ALogP
8
HBA
1
HBD
89.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16ClN5O2S
MW 449.92
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.97

Activity Summary

EC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 52.0 nM 7.28 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... -

Data from ChEMBL 36 via Core Engine