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Compound Detail

CHEMBL590790

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CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)COc1ccc(C)cc1

Basic Information

ChEMBL ID CHEMBL590790
Phase Preclinical
Structure Type MOL
InChI Key RGPJRIJDMCPRRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

708.9
MW (Da)
2.47
ALogP
10
HBA
6
HBD
218.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H56N6O10
MW 708.85
Aromatic Rings 1
Heavy Atoms 50
NP-Likeness -0.29

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 Serotransferrin 1
20041672 10.1021/jm9016703 MDCK 1

Data from ChEMBL 36 via Core Engine