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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6291
CHEMBL6291
Compound Name BISINDOLYLMALEIMIDE IX
ChEMBL Synonyms Ro-318220 | Ro-31-8220
Max Phase 0
Trade Names
Molecular Formula C25H23N5O2S

Additional synonyms for CHEMBL6291 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(=N)N)c4ccccc34)c5ccccc15
Standard InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(2 ...
Download InChI
Standard InChI Key DSXXEELGXBCYNQ-UHFFFAOYSA-N

Sources

  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6291

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
457.6 457.1572 3.72 6 105.9 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.9 8.67 6.1 4.77 4 33 0.18

Structural Alerts

There are 8 structural alerts for CHEMBL6291. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DSXXEELGXBCYNQ-UHFFFAOYSA-N
PubChem SID: 124891580 SID: 26753184 SID: 26753185
Wikipedia Ro-318220

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6291



ACToR 125314-64-9
BindingDB 50400734 3175
Brenda 32955 35191 40343 155491
ChEBI 38912
eMolecules 31503802
EPA CompTox Dashboard DTXSID20154736
FDA SRS W9A0B5E78O
Guide to Pharmacology 5259
IBM Patent System 5DE85825AABED40FDA6398EB481276E7
LINCS LSM-2125
MolPort MolPort-009-019-662
Nikkaji J468.443E
PDBe DRN
PubChem 5083
PubChem: Thomson Pharma 14882364
SureChEMBL SCHEMBL1567017
ZINC ZINC000003797930

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