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Compound Detail

CHEMBL33526

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CC(C)(C)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33526
Phase Preclinical
Structure Type MOL
InChI Key VWHLFTBNAIWCAF-VXKWHMMOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
2.10
ALogP
6
HBA
6
HBD
159.6
PSA (Ų)
0.13
QED
1
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H53N5O4
MW 499.74
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 0.10

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3548
 IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 1200.0 nM 5.92 Inhibitory activity against N-myristoyltransferase (NMT) of candida albicans 9154965

Literature References

PubMed DOI Target Context # Activities
9154965 10.1021/jm9608671 Glycylpeptide N-tetradecanoyltransferase 1

Data from ChEMBL 36 via Core Engine