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Compound Detail

CHEMBL1195748

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CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195748
Phase Preclinical
Structure Type MOL
InChI Key PBUUNRWQXUBYRS-NWDGAFQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
2.14
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.80
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 C13H21NO
MW 207.32
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine