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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL306387
CHEMBL306387
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14BrN3

Additional synonyms for CHEMBL306387 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc(cn1)N2CCCNCC2
Standard InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/ ...
Download InChI
Standard InChI Key JRNYLCIPPWHNEJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL306387

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
256.2 255.0371 1.64 1 28.16 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.12 1.3 -.9 1 14 0.77

Structural Alerts

There are 6 structural alerts for CHEMBL306387. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JRNYLCIPPWHNEJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL306387



BindingDB 50088454
EPA CompTox Dashboard DTXSID60436063
IBM Patent System 4918C57F9B25D2FAE50EF916D8BD97FB
Nikkaji J1.371.888A
PDBe 09R
PubChem 10131290
PubChem: Thomson Pharma 15122384
SureChEMBL SCHEMBL3063508
ZINC ZINC000000023623

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