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Compound Detail

CHEMBL1186187

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COc1cc(/C=C\c2ccc(OC)c(NC(=O)NCCN3CCOCC3)c2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186187
Phase Preclinical
Structure Type MOL
InChI Key ROFRBHINSJODGW-PLNGDYQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.34
ALogP
6
HBA
2
HBD
81.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O5
MW 441.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine