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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252923
CHEMBL252923
Compound Name 1R,2S-MILNACIPRAN
ChEMBL Synonyms Milnacipran hydrochloride | (1R,2S)-Milnacipran
Max Phase 0
Trade Names
Molecular Formula C15H22N2O

Additional synonyms for CHEMBL252923 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
Standard InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8- ...
Download InChI
Standard InChI Key GJJFMKBJSRMPLA-HIFRSBDPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL252923

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
246.4 246.1732 1.77 5 46.33 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.36 .83 -1.92 1 18 0.86

Structural Alerts

There are no structural alerts for CHEMBL252923

Compound Cross References

ChemSpider ChemSpider:GJJFMKBJSRMPLA-HIFRSBDPSA-N
Wikipedia Milnacipran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252923



ACToR 92623-85-3 105310-09-6
BindingDB 86420
Brenda 75638 136336
ChEBI 94468
ChemicalBook CB7423244
DrugBank DB04896
EPA CompTox Dashboard DTXSID3048287
FDA SRS ES1O38J3C4
Human Metabolome Database HMDB0015602
IBM Patent System 7B5D61094EBF88BDDBD5CAC963214F7A
LINCS LSM-5211
MolPort MolPort-006-167-823
Nikkaji J259.861B
PharmGKB PA164752812
PubChem 65833
PubChem: Thomson Pharma 15122098 15122095
SureChEMBL SCHEMBL8099
ZINC ZINC000000014037

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