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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL269236
CHEMBL269236
Compound Name TRYPTOLINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H12N2

Additional synonyms for CHEMBL269236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Cc2c(CN1)[nH]c3ccccc23
Standard InChI InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4 ...
Download InChI
Standard InChI Key CFTOTSJVQRFXOF-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL269236

Alternate Forms of Compound in ChEMBL


CHEMBL269236

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
172.2 172.1 1.81 0 27.82 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.85 1.82 -1.12 2 13 0.62

Compound Cross References

ChemSpider ChemSpider:CFTOTSJVQRFXOF-UHFFFAOYSA-N
PubChem SID: 56424072 SID: 855891
Wikipedia Tryptoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL269236



BindingDB 50130262
ChEBI 92568
eMolecules 496022
EPA CompTox Dashboard DTXSID10167835
FDA SRS 65027TMI0H
Human Metabolome Database HMDB12488
IBM Patent System 071A6F1DDAFC0FE18CF491C006481AD3
LINCS LSM-2711
Mcule MCULE-6905321940
MolPort MolPort-000-150-262
NIH Clinical Collection SAM001246862
Nikkaji J24.851G
NMRShiftDB 20123215
PubChem 107838
PubChem: Drugs of the Future 22395559
PubChem: Thomson Pharma 15321924
SureChEMBL SCHEMBL171755
ZINC ZINC19418965

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