ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL113142
CHEMBL113142
Compound Name ZM-241385
ChEMBL Synonyms ZM-241385 | [3H]-ZM-241385
Max Phase 0
Trade Names
Molecular Formula C16H15N7O2

Additional synonyms for CHEMBL113142 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4occc4
Standard InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10) ...
Download InChI
Standard InChI Key PWTBZOIUWZOPFT-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • K4DD Project
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL113142

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
337.3 337.1287 1.72 5 127.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.03 1.48 2.83 2.82 4 25 0.5

Structural Alerts

There are 1 structural alerts for CHEMBL113142. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PWTBZOIUWZOPFT-UHFFFAOYSA-N
PubChem SID: 11113871 SID: 26752042

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL113142



ACToR 139180-30-6
BindingDB 21190
ChEBI 92361
DrugBank DB08770
eMolecules 1934294
EPA CompTox Dashboard DTXSID80160954
Guide to Pharmacology 405
IBM Patent System 10C2C46C04D9296EE48B5B79C71FB79E
LINCS LSM-2444
MolPort MolPort-006-069-037
Nikkaji J679.659A
PDBe ZMA
PubChem 176407
PubChem: Thomson Pharma 14777778
SureChEMBL SCHEMBL194966
ZINC ZINC000000005258

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