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Compound Detail

CHEMBL322884

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C=C(C)[C@@]1(O)[C@H](OC)[C@H](OC)CO[C@]12CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL322884
Phase Preclinical
Structure Type MOL
InChI Key PBVVEVYIMRLZHS-CHWFTXMASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
0.08
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18O5
MW 230.26
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.98

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00564-1 Gallus gallus 1
- 10.1016/S0960-894X(96)00564-1 A-431 1
- 10.1016/S0960-894X(96)00564-1 ADMET 1

Data from ChEMBL 36 via Core Engine