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Compound Detail

CHEMBL86687

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Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC2CCCCC2)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86687
Phase Preclinical
Structure Type MOL
InChI Key KWWYUOVNQRPEFZ-IDZRBWSNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

640.8
MW (Da)
2.39
ALogP
8
HBA
6
HBD
188.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H52N6O6
MW 640.83
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
9258368 10.1021/jm970094w Peptide N-myristoyltransferase 2
9258368 10.1021/jm970094w Candida albicans 1
9258368 10.1021/jm970094w Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine