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Compound Detail

CHEMBL539106

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COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCN.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539106
Phase Preclinical
Structure Type MOL
InChI Key YGPHAYILBZQXID-YOTVLOEGSA-N
Parent Compound CHEMBL1189634
Active Moiety CHEMBL1189634
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
-0.31
ALogP
8
HBA
6
HBD
185.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H46ClN5O6
MW 524.10
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 0.34

Literature References

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

Data from ChEMBL 36 via Core Engine