ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308333
CHEMBL308333
Compound Name ACTINONIN
ChEMBL Synonyms Actinonin
Max Phase 0
Trade Names
Molecular Formula C19H35N3O5

Additional synonyms for CHEMBL308333 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Standard InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17 ...
Download InChI
Standard InChI Key XJLATMLVMSFZBN-VYDXJSESSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL308333

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
385.5 385.2577 1.43 11 118.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.19 - 1.54 1.53 0 27 0.24

Structural Alerts

There are 7 structural alerts for CHEMBL308333. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XJLATMLVMSFZBN-VYDXJSESSA-N
PubChem SID: 50105725 SID: 50105726 SID: 50105727 SID: 90341343
Wikipedia Actinonin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308333



ACToR 13434-13-4
BindingDB 50089194
Brenda 564
DrugBank DB04310
eMolecules 1935422
FDA SRS P18SPA8N0K
IBM Patent System D614DC084D9475FEB8DA5F6148B0E88D
KEGG Ligand C12056
MolPort MolPort-003-666-102
Nikkaji J1.369.062F
PDBe BB2
PubChem 443600
PubChem: Thomson Pharma 14853850 14853851
SureChEMBL SCHEMBL279450
ZINC ZINC000003979014

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XJLATMLVMSFZBN-VYDXJSESSA-N spacer
spacer