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Compound Detail

CHEMBL73404

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COC(=O)N(C)CC#CCn1ccnc1

Basic Information

ChEMBL ID CHEMBL73404
Phase Preclinical
Structure Type MOL
InChI Key ONDHLXZLOKXNND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
0.58
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.67
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 C10H13N3O2
MW 207.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.46

Activity Summary

Ki 1 meas. best 7.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 7.99 7.99 10.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1875333 10.1021/jm00112a002 Mus musculus 6
1875333 10.1021/jm00112a002 Muscarinic acetylcholine receptor 2

Data from ChEMBL 36 via Core Engine