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Compound Detail

CHEMBL187661

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O=P(O)(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187661
Phase Preclinical
Structure Type MOL
InChI Key AVRMZLUFGYDXQA-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
5.68
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27O4P
MW 410.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
16033272 10.1021/jm049440h NB-4 1
16033272 10.1021/jm049440h IGROV-1 1
16033272 10.1021/jm049440h NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine