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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL353728
CHEMBL353728
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N2

Additional synonyms for CHEMBL353728 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(C)CCc1c[nH]c2ccccc12
Standard InChI InChI=1S/C14H20N2/c1-11(2)16(3)9-8-12-10-15-14-7-5-4-6-13(12 ...
Download InChI
Standard InChI Key KTQJVAJLJZIKKD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL353728

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
216.3 216.1626 3.24 4 19.03 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.9 3.44 1.05 2 16 0.83

Structural Alerts

There are no structural alerts for CHEMBL353728

Compound Cross References

ChemSpider ChemSpider:KTQJVAJLJZIKKD-UHFFFAOYSA-N
Wikipedia Methylisopropyltryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL353728



FDA SRS JO3SCR302A
Nikkaji J2.225.017E
PubChem 29935323
ZINC ZINC000022001985

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