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Compound Detail

CHEMBL592638

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CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)Cn1ccc(=O)c(O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592638
Phase Preclinical
Structure Type MOL
InChI Key PQNPMTQRXRPPPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

725.8
MW (Da)
0.96
ALogP
12
HBA
7
HBD
251.2
PSA (Ų)
0.04
QED
3
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H55N7O11
MW 725.84
Aromatic Rings 1
Heavy Atoms 51
NP-Likeness -0.19

Literature References

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

Data from ChEMBL 36 via Core Engine