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

CHEMBL1950311

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
C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1950311
Phase Preclinical
Structure Type MOL
InChI Key IBCCOEKGSJCDIL-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
5.32
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26Cl2N4O
MW 445.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysosomal Pro-X carboxypeptidase
CHEMBL2335
 IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysosomal Pro-X carboxypeptidase IC50 = 14.0 nM 7.85 Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... 22248857

Literature References

PubMed DOI Target Context # Activities
22248857 10.1016/j.bmcl.2011.12.064 Lysosomal Pro-X carboxypeptidase 1

Data from ChEMBL 36 via Core Engine