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Compound Detail

CHEMBL1184210

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COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C=O)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184210
Phase Preclinical
Structure Type MOL
InChI Key MKKZZPATQDBJPJ-OUKQBFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
3.24
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N3O3
MW 421.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine