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Compound Detail

CHEMBL295740

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Cc1c2c(c(O)c3occ(C(=O)O)c13)C1CCC(=O)[C@@]1(C)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL295740
Phase Preclinical
Structure Type MOL
InChI Key WYUWLTWJTYTWLS-MCEAHNFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
3.62
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O5
MW 312.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.66

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00291-Z Rattus norvegicus 1
- 10.1016/0960-894X(95)00291-Z Unchecked 1

Data from ChEMBL 36 via Core Engine