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Compound Detail

CHEMBL1178753

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CCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178753
Phase Preclinical
Structure Type MOL
InChI Key AVLNKVFZTAJGAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.81
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.76
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 C21H27NO
MW 309.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine