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Compound Detail

CHEMBL1193797

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Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193797
Phase Preclinical
Structure Type MOL
InChI Key XJAIZZAVIKJXAV-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.82
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
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 C19H29NO2
MW 303.45
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.83

Data from ChEMBL 36 via Core Engine