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Compound Detail

CHEMBL1194054

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CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194054
Phase Preclinical
Structure Type MOL
InChI Key ACLBNEZZSUCMOL-JKSUJKDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.4
MW (Da)
3.29
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23NO
MW 257.38
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine