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Compound Detail

CHEMBL322767

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CC1(C)Oc2ccc(C#N)cc2[C@H](N(CC(=O)O)c2ccccc2)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL322767
Phase Preclinical
Structure Type MOL
InChI Key INOLWEXWNJMTFU-RBUKOAKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.72
ALogP
5
HBA
2
HBD
93.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O4
MW 352.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
9016325 10.1021/jm9605905 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine