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Compound Detail

CHEMBL1185932

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COc1ccccc1N1CCN(CCCCNC(=O)c2ccco2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185932
Phase Preclinical
Structure Type MOL
InChI Key ALMXZLFXWNSAEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.62
ALogP
5
HBA
1
HBD
58.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N3O3
MW 357.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.68

Data from ChEMBL 36 via Core Engine