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Compound Detail

CHEMBL1093462

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O=C(c1ccccc1)C1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093462
Phase Preclinical
Structure Type MOL
InChI Key KLTMHKXCCKSCIV-FGZHOGPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.21
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO2
MW 363.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine