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Compound Detail

CHEMBL2365800

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COc1ccc2c(CCCCN3[C@H](C)CCC[C@@H]3C)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2365800
Phase Preclinical
Structure Type MOL
InChI Key JPNYXUQKRYPUHK-HDICACEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.5
MW (Da)
5.43
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.66
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 C22H31NO
MW 325.50
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine