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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL10
CHEMBL10
Compound Name SB-203580
ChEMBL Synonyms SB-203580
Max Phase 0
Trade Names
Molecular Formula C21H16FN3OS

Additional synonyms for CHEMBL10 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[S+]([O-])c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4
Standard InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2 ...
Download InChI
Standard InChI Key CDMGBJANTYXAIV-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL10

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
377.4 377.0998 4.68 4 58.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.47 4.37 1.7 1.7 4 27 0.56

Structural Alerts

There are 5 structural alerts for CHEMBL10. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CDMGBJANTYXAIV-UHFFFAOYSA-N
PubChem SID: 103904989 SID: 11113952 SID: 11113953 SID: 124886984 SID: 26752101 SID: 50100115
Wikipedia SB_203580

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL10



ACToR 152121-47-6
BindingDB 13336 192501 50045333
Brenda 34560 11609 1808 118629
ChEBI 90705
ChemicalBook CB1680333
eMolecules 27345042 594482
EPA CompTox Dashboard DTXSID2040577
Guide to Pharmacology 5269
IBM Patent System 0B457349B7F042E01E21E12125308578 AF123A5B0759DACA8C181A06ED716536
LINCS LSM-1168
MolPort MolPort-000-006-291 MolPort-020-313-396
Nikkaji J654.606D
PubChem 176155
PubChem: Drugs of the Future 49684193
PubChem: Thomson Pharma 14804412 14779945
Selleck SB-203580
SureChEMBL SCHEMBL95208

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