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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1630577
CHEMBL1630577
Compound Name ABAMECTIN COMPONENT B1A
ChEMBL Synonyms ABAMECTIN COMPONENT B1A
Max Phase 0
Trade Names
Molecular Formula C48H72O14

Additional synonyms for CHEMBL1630577 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C ...
Download SMILES
Standard InChI InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-2 ...
Download InChI
Standard InChI Key RRZXIRBKKLTSOM-XPNPUAGNSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1630577

Molecule Features

CHEMBL1630577 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ABAMECTIN COMPONENT B1A
The Cochrane Collaboration ABAMECTIN COMPONENT B1A

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
873.1 872.4922 5.38 8 170.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 3 3 14 3 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.42 - 5.46 5.46 0 62 0.21

Structural Alerts

There are 3 structural alerts for CHEMBL1630577. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RRZXIRBKKLTSOM-XPNPUAGNSA-N
PubChem SID: 144204847 SID: 50113085
Wikipedia Abamectin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1630577



ACToR 73989-17-0 65195-55-3 71751-41-2
Brenda 163535
ChEBI 29534
eMolecules 36751340
EPA CompTox Dashboard DTXSID9058238
FDA SRS K54ZMM929K
Metabolights MTBLC29534
MolPort MolPort-006-391-495
PubChem 6434889
PubChem: Thomson Pharma 15485207
SureChEMBL SCHEMBL302300
ZINC ZINC000245224134

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