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Compound Detail

CHEMBL4299786

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COc1ccc2c(c1)CCC(Cc1cc[n+](Cc3cccc(C)c3)cc1Br)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4299786
Phase Preclinical
Structure Type MOL
InChI Key CRFBTACSAUOZGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.4
MW (Da)
5.09
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25BrNO2+
MW 451.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine