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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL478629
CHEMBL478629
Compound Name DORSOMORPHIN
ChEMBL Synonyms Dorsomorphin
Max Phase 0
Trade Names
Molecular Formula C24H25N5O

Additional synonyms for CHEMBL478629 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CN1CCCCC1)Oc2ccc(cc2)c3cnc4c(cnn4c3)c5ccncc5
Standard InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7- ...
Download InChI
Standard InChI Key XHBVYDAKJHETMP-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL478629

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
399.5 399.2059 4.32 6 55.55 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.53 2.03 .86 4 30 0.48

Structural Alerts

There are no structural alerts for CHEMBL478629

Compound Cross References

ChemSpider ChemSpider:XHBVYDAKJHETMP-UHFFFAOYSA-N
PubChem SID: 124893194 SID: 29217627

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL478629



ACToR 866405-64-3
BindingDB 50262685
Brenda 7025 6303
ChEBI 78510
ChemicalBook CB22512071 CB8786803
DrugBank DB08597
eMolecules 17282503
FDA SRS 10K52CIC1Z
Guide to Pharmacology 4907
IBM Patent System 13EEB6273868CC950B68E0EAE839E6C3
LINCS LSM-3207
Mcule MCULE-1245787291
MolPort MolPort-006-709-961
Nikkaji J2.625.625I
PDBe TAK
PubChem 11524144
PubChem: Drugs of the Future 99431644
PubChem: Thomson Pharma 16626128
SureChEMBL SCHEMBL463155
ZINC ZINC000013829435

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