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

CHEMBL458586

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

Basic Information

ChEMBL ID CHEMBL458586
Phase Preclinical
Structure Type MOL
InChI Key SSLGWMMLEYMVQE-DGCLKSJQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
1.78
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H30N2O5
MW 330.43
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.68

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