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Compound Detail

CHEMBL4596188

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Clc1ccccc1CN1CCC(CNCc2cccc(-c3ccccc3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596188
Phase Preclinical
Structure Type MOL
InChI Key XBEBHNXBLIDZDS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.0
MW (Da)
6.01
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29ClN2
MW 404.99
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine