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Compound Detail

CHEMBL3990110

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Cc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990110
Phase Preclinical
Structure Type MOL
InChI Key VXSIHCAIDXXQAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.5
MW (Da)
3.89
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.75
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 C21H28N2O
MW 324.47
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.49

Data from ChEMBL 36 via Core Engine