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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110857
CHEMBL2110857
Compound Name LAVOLTIDINE
ChEMBL Synonyms LOXOTIDINE | LAVOLTIDINE SUCCINATE | AH 23844A | AH 23844 [LAVOLTIDINE] | LOXTIDINE
Max Phase 0
Trade Names
Molecular Formula C19H29N5O2

Additional synonyms for CHEMBL2110857 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1nc(CO)nc1NCCCOc2cccc(CN3CCCCC3)c2
Standard InChI InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26- ...
Download InChI
Standard InChI Key VTLNPNNUIJHJQB-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2110857

Molecule Features

CHEMBL2110857 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov LAVOLTIDINE
The Cochrane Collaboration LAVOLTIDINE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
359.5 359.2321 2.17 9 75.44 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.1 8.97 2.27 .7 2 26 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL2110857. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VTLNPNNUIJHJQB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110857



ACToR 76956-02-0
ChEBI 6550
DrugBank DB12884
EPA CompTox Dashboard DTXSID0020785
FDA SRS X16K5179V5
IBM Patent System B0D12389D7D5698646DB02006CCB3BA3
KEGG Ligand C11805
Nikkaji J32.883I
PubChem 55473
PubChem: Thomson Pharma 15325560 16610691
SureChEMBL SCHEMBL1142
ZINC ZINC000001532377

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