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Compound Detail

CHEMBL26760

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COc1ccc([C@@]2(C#N)C[C@H]3C[C@@H](C(=O)O)C[C@H]3C2)cc1OC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26760
Phase Preclinical
Structure Type MOL
InChI Key KLQIHSRSOJJAMH-MZWZYPHZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
4.30
ALogP
4
HBA
1
HBD
79.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO4
MW 369.46
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
14980691 10.1016/j.bmcl.2003.12.018 Phosphodiesterase 4 1
14980691 10.1016/j.bmcl.2003.12.018 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine