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Compound Detail

CHEMBL357101

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Basic Information

ChEMBL ID CHEMBL357101
Phase Preclinical
Structure Type MOL
InChI Key MCSAQVGDZLPTBS-UHFFFAOYSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

122.2
MW (Da)
0.80
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10N2
MW 122.17
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -1.00

Activity Summary

Ki 2 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14698195 10.1016/j.bmcl.2003.10.033 Neuronal acetylcholine receptor; alpha4/beta2 1
16412637 10.1016/j.bmcl.2005.12.073 Neuronal acetylcholine receptor; alpha4/beta2 1
- 10.1584/jpestics.17.4_231 No relevant target 1
- 10.1584/jpestics.17.4_231 Unchecked 1
- 10.1584/jpestics.17.4_231 Nicotinic acetylcholine receptor alpha 5 subunit 1
- 10.1584/jpestics.17.4_231 Acetylcholinesterase 1
- 10.1584/jpestics.17.4_231 Musca domestica 1

Data from ChEMBL 36 via Core Engine