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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL296641
CHEMBL296641
Compound Name ANTALARMIN
ChEMBL Synonyms Antalarmin
Max Phase 0
Trade Names
Molecular Formula C24H34N4

Additional synonyms for CHEMBL296641 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2c3c(C)cc(C)cc3C
Standard InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(2 ...
Download InChI
Standard InChI Key IXPROWGEHNVJOY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL296641

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
378.6 378.2783 6.75 6 33.95 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.1 6.17 5.91 3 28 0.48

Structural Alerts

There are 1 structural alerts for CHEMBL296641. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IXPROWGEHNVJOY-UHFFFAOYSA-N
PubChem SID: 29217488 SID: 533085
Wikipedia Antalarmin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL296641



ACToR 157284-96-3
BindingDB 50074501
EPA CompTox Dashboard DTXSID50166241
Guide to Pharmacology 3489
IBM Patent System F41397E083E975DB736D6C69C39AB015
Nikkaji J1.099.376H
PubChem 177990
PubChem: Drugs of the Future 12014909
PubChem: Thomson Pharma 14829248
SureChEMBL SCHEMBL466243
ZINC ZINC000001539136

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