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Compound Detail

CHEMBL105379

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CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCC2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL105379
Phase Preclinical
Structure Type MOL
InChI Key GUPOEKUZAMFAPU-KGLIPLIRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
1.36
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.78
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 C15H16N2O3
MW 272.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
2231602 10.1021/jm00173a019 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine