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Compound Detail

CHEMBL115839

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Cc1cc(CN(c2ccccc2)[C@H]2c3cc(C#N)ccc3OC(C)(C)[C@@H]2O)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115839
Phase Preclinical
Structure Type MOL
InChI Key PQVVJBLFXPFPBH-FCHUYYIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.13
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.72
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 C23H23N3O3
MW 389.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.60

Literature References

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

Data from ChEMBL 36 via Core Engine