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Compound Detail

CHEMBL1189369

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COc1ccc2c(c1)CCCC2CCCN1CCC(C)(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189369
Phase Preclinical
Structure Type MOL
InChI Key JLWYELAMPROSNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.5
MW (Da)
5.02
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.76
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33NO
MW 315.50
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine