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Compound Detail

CHEMBL1180177

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C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)csc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180177
Phase Preclinical
Structure Type MOL
InChI Key OMZFKOWJQSKUII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
7.39
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28BrNOS
MW 458.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine