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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL608154
CHEMBL608154
Compound Name
ChEMBL Synonyms ML-120B
Max Phase 0
Trade Names
Molecular Formula C19H15ClN4O2

Additional synonyms for CHEMBL608154 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c4cccnc4C
Standard InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13 ...
Download InChI
Standard InChI Key ZNOLRTPMNMPLHY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL608154

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
366.8 366.0884 4.33 3 79.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.63 6.7 3.89 3.83 4 26 0.57

Structural Alerts

There are no structural alerts for CHEMBL608154

Compound Cross References

ChemSpider ChemSpider:ZNOLRTPMNMPLHY-UHFFFAOYSA-N
PubChem SID: 137275925 SID: 174007081

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL608154



BindingDB 50309910
EPA CompTox Dashboard DTXSID50432993
Guide to Pharmacology 5694
IBM Patent System AD81E623A109BE57AC736081836E9531
MolPort MolPort-035-682-943
PubChem 9929127
PubChem: Thomson Pharma 14901714
SureChEMBL SCHEMBL1420073
ZINC ZINC000006717113

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