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Compound Detail

CHEMBL11394

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O=C(O)COc1cccc2c1CCC(CCCOC(c1ccccc1)c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11394
Phase Preclinical
Structure Type MOL
InChI Key SZCIIKUEIKXODL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
5.84
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30O4
MW 430.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00169-T Prostacyclin receptor 2
- 10.1016/0960-894X(95)00169-T Homo sapiens 1

Data from ChEMBL 36 via Core Engine