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Compound Detail

CHEMBL4595692

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O=C(OC1C[N+]2(CCCc3cccc(Br)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595692
Phase Preclinical
Structure Type MOL
InChI Key PFUVOJKXPCHVRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.5
MW (Da)
5.47
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33BrNO3+
MW 535.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine