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Compound Detail

CHEMBL592485

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CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3CC(CC(O)(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592485
Phase Preclinical
Structure Type MOL
InChI Key IDQJKTDJIUQPCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

738.9
MW (Da)
2.41
ALogP
10
HBA
7
HBD
229.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H62N6O10
MW 738.92
Aromatic Rings 0
Heavy Atoms 52
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
20041672 10.1021/jm9016703 No relevant target 3
20041672 10.1021/jm9016703 SK-N-MC 2
20041672 10.1021/jm9016703 MDCK 1

Data from ChEMBL 36 via Core Engine