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Compound Detail

CHEMBL1189108

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COc1ccc([C@H](CN(C)C)[C@@H](O)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189108
Phase Preclinical
Structure Type MOL
InChI Key HIWRPROZZGDETH-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.28
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29NO2
MW 291.44
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine