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

CHEMBL3912125

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)=CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(CC(=O)N1CCCCC1)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3912125
Phase Preclinical
Structure Type MOL
InChI Key PFDHHWUQAKKPPQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
0.80
ALogP
9
HBA
1
HBD
111.4
PSA (Ų)
0.67
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 C23H35N7O3
MW 457.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.13

Activity Summary

IC50 3 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 6.6 6.6 250.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 250.0 nM 6.6 DPP-IV Assay: 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcouma... -
Dipeptidyl peptidase 4 IC50 = 250.0 nM 6.6 Fluorescence Assay: 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethy... -
Dipeptidyl peptidase 4 IC50 = 250.0 nM 6.6 DPP-IV assay: 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcouma... -

Data from ChEMBL 36 via Core Engine