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Compound Detail

CHEMBL1197104

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COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197104
Phase Preclinical
Structure Type MOL
InChI Key BJPAAOHFKJHPOI-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.5
MW (Da)
5.05
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29NO
MW 311.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine