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

CHEMBL1771068

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)(C)OC(=O)N1CCC(C2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL1771068
Phase Preclinical
Structure Type MOL
InChI Key YERQPNCASYFOJZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
3.95
ALogP
5
HBA
0
HBD
66.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H34N2O4S
MW 422.59
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.20

Activity Summary

EC50 2 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 7.66 7.66 22.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 7.44 7.44 36.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 0.09 uM.hr.Kg/mg Mus musculus
CL 120.0 mL.min-1.kg-1 Mus musculus
T1/2 0.6 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21273063 10.1016/j.bmcl.2010.12.086 Mus musculus 4
21273063 10.1016/j.bmcl.2010.12.086 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine