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

CHEMBL1771104

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
O=C(NC1CC1)c1ccc(OCCCC2CC2CCCC2CCN(c3ncc(Cl)cn3)CC2)cc1F

Basic Information

ChEMBL ID CHEMBL1771104
Phase Preclinical
Structure Type MOL
InChI Key UKIRDFAQOIZTRR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

515.1
MW (Da)
6.04
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36ClFN4O2
MW 515.07
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.04

Activity Summary

EC50 2 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 9.7 9.7 0.2 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21273063 10.1016/j.bmcl.2010.12.086 Glucose-dependent insulinotropic receptor 2
21273063 10.1016/j.bmcl.2010.12.086 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine