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Compound Detail

CHEMBL1202959

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Cl.O=C(OC1CN2CCC1CC2)C(O)(CN1CCCC1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1202959
Phase Preclinical
Structure Type MOL
InChI Key FWPVJBMPFZIDNC-UHFFFAOYSA-N
Parent Compound CHEMBL104280
Active Moiety CHEMBL104280
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
1.61
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.82
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 C20H29ClN2O3
MW 380.92
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.16

Activity Summary

Ki 1 meas. best 4.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 4.91 4.91 12230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 12230.0 nM 4.91 Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor 2296026

Literature References

PubMed DOI Target Context # Activities
2296026 10.1021/jm00163a050 Muscarinic acetylcholine receptor 1
2296026 10.1021/jm00163a050 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine