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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275224
CHEMBL275224
Compound Name NORHARMANE
ChEMBL Synonyms norharman | beta-carboline | norharmane
Max Phase 0
Trade Names
Molecular Formula C11H8N2

Additional synonyms for CHEMBL275224 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2c(c1)[nH]c3cnccc23
Standard InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7, ...
Download InChI
Standard InChI Key AIFRHYZBTHREPW-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL275224

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
168.2 168.0687 2.17 0 28.68 NEUTRAL


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
- 7.85 2.93 2.35 3 13 0.55

Structural Alerts

There are no structural alerts for CHEMBL275224

Compound Cross References

ChemSpider ChemSpider:AIFRHYZBTHREPW-UHFFFAOYSA-N
PubChem SID: 103905530 SID: 144207281 SID: 26746906 SID: 56422412 SID: 855536
Wikipedia Beta-Carboline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275224



ACToR 244-63-3
BindingDB 50013811
Brenda 16543 25822 2303
ChEBI 109895
eMolecules 592796
EPA CompTox Dashboard DTXSID2021070
FDA SRS 94HMA1I78O
Guide to Pharmacology 8222
Human Metabolome Database HMDB0012897
IBM Patent System A12F25EEE958670A9DB6D948E33B9B99
LINCS LSM-19021
Mcule MCULE-7379210172
Metabolights MTBLC109895
MolPort MolPort-000-141-389
Nikkaji J10.931B
NMRShiftDB 88457
PDBe NRH
PubChem 64961
PubChem: Drugs of the Future 12015776
PubChem: Thomson Pharma 14843142
Recon CE3087
SureChEMBL SCHEMBL25834
ZINC ZINC000000066039

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