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

CHEMBL281089

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)N(CCC1(c2ccccc2)C(=O)NC(C)N2CCCCC21)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281089
Phase Preclinical
Structure Type MOL
InChI Key FEKYBEXKIPSLIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.6
MW (Da)
3.76
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H37N3O
MW 371.57
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.02

Activity Summary

Kd 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
 Kd 4.22 4.22 60256.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus Kd = 60255.96 nM 4.22 Antimuscarinic activity in guinea pig ileum 4032431

Literature References

PubMed DOI Target Context # Activities
4032431 10.1021/jm00147a029 Canis familiaris 4
4032431 10.1021/jm00147a029 Muscarinic acetylcholine receptor 1
4032431 10.1021/jm00147a029 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine