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Compound Detail

CHEMBL75907

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CCCCOc1nonc1C1=CCCN(C)C1

Basic Information

ChEMBL ID CHEMBL75907
Phase Preclinical
Structure Type MOL
InChI Key XNFKAONAVGFTDA-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.97
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N3O2
MW 237.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.63

Activity Summary

IC50 4 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 7.62 7.62 24.0 1
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 7.62 6.8467 24.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1613751 10.1021/jm00090a019 Muscarinic acetylcholine receptor M1 2
1613751 10.1021/jm00090a019 Cavia porcellus 2
1613751 10.1021/jm00090a019 Oryctolagus cuniculus 1
- 10.1016/S0960-894X(00)80536-3 Muscarinic acetylcholine receptor 1
- 10.1016/S0960-894X(00)80536-3 Muscarinic acetylcholine receptor M1 1
- 10.1016/S0960-894X(00)80536-3 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine