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Compound Detail

CHEMBL1189655

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O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189655
Phase Preclinical
Structure Type MOL
InChI Key SFWLRQJIBUQSPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.0
MW (Da)
4.52
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.65
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 C24H29ClN2O2
MW 412.96
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine