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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL306380
CHEMBL306380
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H19N5

Additional synonyms for CHEMBL306380 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C
Standard InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15 ...
Download InChI
Standard InChI Key ZVPDNRVYHLRXLX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL306380

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
281.4 281.164 3.14 1 69.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.29 3.95 3.95 3 21 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL306380. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZVPDNRVYHLRXLX-UHFFFAOYSA-N
PubChem SID: 103904783 SID: 17402282 SID: 26756734 SID: 26756735

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL306380



BindingDB 25116
Brenda 6878
DrugBank DB01809
eMolecules 1934391
EPA CompTox Dashboard DTXSID60274306
Guide to Pharmacology 8836
IBM Patent System C8E88543ED499918B0C18FA67E110274
LINCS LSM-3047
MolPort MolPort-002-857-076
Nikkaji J704.781I
PDBe PP1
PubChem 1400
PubChem: Thomson Pharma 14873050
Selleck pp1
SureChEMBL SCHEMBL407934
ZINC ZINC000002047275

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