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Compound Detail

CHEMBL112654

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COc1ccc(C(O)CN2CCN(c3ccccc3)CC2)cc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112654
Phase Preclinical
Structure Type MOL
InChI Key AMENQYJFDDCDBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
1.65
ALogP
5
HBA
2
HBD
79.0
PSA (Ų)
0.82
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 C20H25N3O3
MW 355.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine