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Compound Detail

CHEMBL1582991

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CCOc1ccc(-n2cc(C(=O)N3CCN(C)CC3)c3cc(OC)c(OC)cc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1582991
Phase Preclinical
Structure Type MOL
InChI Key DUYBAPHHWQNFIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
2.79
ALogP
7
HBA
0
HBD
73.2
PSA (Ų)
0.57
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 C25H29N3O5
MW 451.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine