Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL132502

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)n1nnc(C2=CCCN(C)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132502
Phase Preclinical
Structure Type MOL
InChI Key HTWHYXDKMLYDLO-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
0.97
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.72
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 C10H17N5
MW 207.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.03

Activity Summary

Ki 4 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
 Ki 7.08 7.08 84.0 1
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 7.07 6.64 85.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M1 Ki = 84.0 nM 7.08 In vitro binding affinity for muscarinic M1 receptor by displacing [3H]pirenzepi... 7990109
Muscarinic acetylcholine receptor Ki = 85.0 nM 7.07 In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine... 7990109
Muscarinic acetylcholine receptor Ki = 270.0 nM 6.57 In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... 7990109
Muscarinic acetylcholine receptor Ki = 530.0 nM 6.28 In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... 7990109

Literature References

PubMed DOI Target Context # Activities
7990109 10.1021/jm00050a006 Muscarinic acetylcholine receptor 3
7990109 10.1021/jm00050a006 Rattus norvegicus 2
7990109 10.1021/jm00050a006 Muscarinic acetylcholine receptor M1 1

Data from ChEMBL 36 via Core Engine