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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL492634
CHEMBL492634
Compound Name
ChEMBL Synonyms IN-1130
Max Phase 0
Trade Names
Molecular Formula C25H20N6O

Additional synonyms for CHEMBL492634 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(n1)c2[nH]c(Cc3cccc(c3)C(=O)N)nc2c4ccc5nccnc5c4
Standard InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(1 ...
Download InChI
Standard InChI Key RYKSGWSKILPDDY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL492634

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
420.5 420.1699 4.08 5 110.44 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.6 1.34 .5 5 32 0.45

Structural Alerts

There are no structural alerts for CHEMBL492634

Compound Cross References

ChemSpider ChemSpider:RYKSGWSKILPDDY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL492634



BindingDB 50252542
Brenda 146942
FDA SRS KW4O83PQ97
IBM Patent System 7279E7BFD2E295B011729C0174854B7D 00B8CD6137E7FEB9C2C21F86D88AF039
MolPort MolPort-042-665-839 MolPort-046-162-871
PubChem 11676119
PubChem: Thomson Pharma 103051373 16780150
SureChEMBL SCHEMBL139815
ZINC ZINC000013985930

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