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Compound Detail

CHEMBL57842

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C=CC[N+](C)(C)c1ccc(OC)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57842
Phase Preclinical
Structure Type MOL
InChI Key ATLVBIROVNAFQQ-UHFFFAOYSA-M
Parent Compound CHEMBL1179065
Active Moiety CHEMBL1179065
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

192.3
MW (Da)
2.45
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18BrNO
MW 272.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
11755352 10.1016/s0960-894x(01)00703-x Acetylcholinesterase 1
11755352 10.1016/s0960-894x(01)00703-x Cavia porcellus 1

Data from ChEMBL 36 via Core Engine