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

CHEMBL458777

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
CCCCN(CCCC)[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458777
Phase Preclinical
Structure Type MOL
InChI Key BVCPWYGFNWRHJY-JKSUJKDBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
1.86
ALogP
6
HBA
3
HBD
108.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H37N3O5
MW 387.52
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness -0.02

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Baculoviral IAP repeat-containing protein 2
CHEMBL5462
 IC50 5.04 5.04 9200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Baculoviral IAP repeat-containing protein 2 IC50 = 9200.0 nM 5.04 Promotion of flag-tagged cIAP1 degradation in human HT1080 cells assessed as dec... 18313309

Literature References

PubMed DOI Target Context # Activities
18313309 10.1016/j.bmc.2008.02.024 Baculoviral IAP repeat-containing protein 2 1

Data from ChEMBL 36 via Core Engine