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Compound Detail

CHEMBL4598254

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CCCCCC/C=C/c1ccc([C@H]2CCN[C@@H]2CO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4598254
Phase Preclinical
Structure Type MOL
InChI Key ZPWWYFSDABLSLH-JNVNVXKGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
4.11
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29NO
MW 287.45
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.45

Data from ChEMBL 36 via Core Engine