Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1580315

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(/C=C/c1ccccc1)Nn1c(-c2cccs2)nc2ccccc2c1=O

Basic Information

ChEMBL ID CHEMBL1580315
Phase Preclinical
Structure Type MOL
InChI Key QUIKMEYCMPUZEX-OUKQBFOZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.91
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.55
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 C21H15N3O2S
MW 373.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.15

Activity Summary

EC50 1 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.99 6.99 102.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 102.0 nM 6.99 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... -

Data from ChEMBL 36 via Core Engine