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

CHEMBL252751

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
CCC(=O)Nc1nc2ccc(C(=O)NCCNCc3ccc4ccccc4c3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252751
Phase Preclinical
Structure Type MOL
InChI Key HSEWZEAKIXLEPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.32
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O2S
MW 432.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3548
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 130.0 nM 6.89 Inhibition of Candida albicans N-myristoyltransferse 17349719

Literature References

PubMed DOI Target Context # Activities
17349719 10.1016/j.ejmech.2006.11.001 Glycylpeptide N-tetradecanoyltransferase 2

Data from ChEMBL 36 via Core Engine