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Compound Detail

CHEMBL1181578

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c1ccc(-c2ccc(N3CCNCC3)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181578
Phase Preclinical
Structure Type MOL
InChI Key ONOLGKFAVVAAOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
3.92
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2
MW 288.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine