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Compound Detail

CHEMBL254220

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O=C(Nc1ccc2nc(NC(=O)C3CCCC3)sc2c1)C1CCC(NCc2ccc3ccccc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254220
Phase Preclinical
Structure Type MOL
InChI Key WUGWHWVPMFZLHI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
6.87
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.25
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 C31H34N4O2S
MW 526.71
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3548
 IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 34.0 nM 7.47 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