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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285932
CHEMBL285932
Compound Name
ChEMBL Synonyms AM-251
Max Phase 0
Trade Names
Molecular Formula C22H21Cl2IN4O

Additional synonyms for CHEMBL285932 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(I)cc3)C(=O)NN4CCCCC4
Standard InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)2 ...
Download InChI
Standard InChI Key BUZAJRPLUGXRAB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285932

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
555.2 554.0137 6.53 4 50.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 2 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.31 3.22 5.27 5.27 3 30 0.37

Structural Alerts

There are 6 structural alerts for CHEMBL285932. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BUZAJRPLUGXRAB-UHFFFAOYSA-N
PubChem SID: 11113928 SID: 26719791 SID: 26752082 SID: 49681811
Wikipedia AM251

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285932



ACToR 183232-66-8
BindingDB 21279
Brenda 155341
ChEBI 90724
eMolecules 1934520
EPA CompTox Dashboard DTXSID7042695
FDA SRS 3I4FA44MAI
Guide to Pharmacology 3317
IBM Patent System B200BD515D93DBE62F28FC6101A27E9A
LINCS LSM-4057
MolPort MolPort-003-983-507
NIH Clinical Collection SAM001247081
Nikkaji J1.080.914B
PubChem 2125
PubChem: Thomson Pharma 14886159
Selleck am251
SureChEMBL SCHEMBL1040316
ZINC ZINC000001997139

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