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Compound Detail

CHEMBL254010

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CC(C)C(=O)Nc1nc2ccc(NC(=O)C3CCCC(NCc4ccc5ccccc5c4)C3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254010
Phase Preclinical
Structure Type MOL
InChI Key JINILTRBRUIBFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.7
MW (Da)
6.33
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N4O2S
MW 500.67
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3548
 IC50 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 3.3 nM 8.48 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