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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL269538
CHEMBL269538
Compound Name HARMINE
ChEMBL Synonyms Harmine HCl | SID26753729 | SID50107399 | SID56463102 | SID85239699 | Harmine Hydrochloride Hydrate
Max Phase 0
Trade Names
Molecular Formula C13H12N2O

Additional synonyms for CHEMBL269538 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(c1)[nH]c3c(C)nccc23
Standard InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10 ...
Download InChI
Standard InChI Key BXNJHAXVSOCGBA-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL269538

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
212.3 212.095 2.44 0 1 Yes Yes BASE


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- 8.71 3.05 1.75 3 16 0 0.67

Compound Cross References

ChemSpider ChemSpider:BXNJHAXVSOCGBA-UHFFFAOYSA-N
PubChem SID: 11112332 SID: 118045984 SID: 124360166 SID: 124882255 SID: 124882257 SID: 124882258 SID: 124882259 SID: 26748430 SID: 26753728 SID: 26753729 SID: 50107399 SID: 85239699
Wikipedia Harmine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL269538



DrugBank DB07919
PDBe HRM
PubChem: Drugs of the Future 12015642
KEGG Ligand C06538
ChEBI 28121
eMolecules 494767
IBM Patent System CFCB43AB263064BF03518A96DDB77729
Patent US5563014 EP0743574A3 EP0743573B1 EP0743574B1 EP0743573A3
FDA SRS 4FHH5G48T7
Human Metabolome Database HMDB30311
PubChem: Thomson Pharma 15439029
PubChem 5280953
Mcule MCULE-9544425288

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