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

CHEMBL274663

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)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274663
Phase Preclinical
Structure Type MOL
InChI Key NDWWBICCRUEENI-KXBFYZLASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
0.24
ALogP
5
HBA
5
HBD
133.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O4
MW 412.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
 IC50 7.01 7.01 98.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus IC50 = 98.0 nM 7.01 Inhibition of contraction of electrically stimulated guinea pig ileum 6252322

Literature References

PubMed DOI Target Context # Activities
6252322 10.1021/jm00184a010 Opioid receptor (mu and kappa) 2
6252322 10.1021/jm00184a010 Opioid receptor 2
6252322 10.1021/jm00184a010 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine