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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



BindinDB 50130262
eMolecules 496022
FDA SRS 65027TMI0H
Human Metabolome Database HMDB12488
IBM Patent System 071A6F1DDAFC0FE18CF491C006481AD3
IBM Patents US20040180939 US7456203 US4628057 WO2008148617A1 US20030040527 EP2106406A2 EP2139485A2 US20100009997 US4754038 US20060223849 US20040176362 EP1867331A1 US5869691 US20100184806 US20050256132 US20100256114 WO2000064420A2 EP2178537A1 WO2005092335A1 US4731358 US4837325 US20060074098 US6713645 US20090170922 EP1730125A2 EP1852420A1 US7371535 US20050261273 US20070015798 EP1156050A2 US7091200 US4705857 US7645780 EP1786425A1 WO2007002051A1 US5047400 US6878711 US20090018136 EP0296059B1 EP1067950A1 EP2097420A1 EP1414828B1 US7799547 US20070078083 EP1353921B1 US20090076014 US20060148844 US20090227644 US20100145052 EP2254865A1 US20010051633 US20080234252 US4954500 US20050282858 WO2009102377A2 US6037326 WO2009109610A1 WO2005087215A1 US4789676 WO2010049500A2 WO2007096743A1 US20030162972 EP1863771A2 US6872830 EP2240481A1 EP1853553A1 US6586435 US7511159 EP0749313A1 US20090023756 EP0054507A2 US7833995 EP1086101A1 US20070099938 EP0282374B1 EP0839806B1 EP1792904A1 US7375099 US6800638 US20040087591 US20080207584 US6407112 US7253165 US6469020 US20030105318 EP1278739A1 US6057311 WO1996024351A1 US20070149584 US6900220 US20080234254 WO1998000144A1 US7763610 US20030032580 EP0559838B1 EP0145304A1 EP0705832A1 US20090233908 WO2007025177A2 EP1886693A1
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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