Details of the Drug

General Information of Drug (ID: DM2U45Q)

Drug Name
Danegaptide
Synonyms SCHEMBL2399760; BCP17534; ZP 1609
Indication
Disease Entry ICD 11 Status REF
Atrial fibrillation BC81.3 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 291.3
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H17N3O4
IUPAC Name
(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid
Canonical SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1
InChIKey
BIZKIHUJGMSVFD-MNOVXSKESA-N
Cross-matching ID
PubChem CID
16656685
CAS Number
943134-39-2
DrugBank ID
DB11821
TTD ID
D0KQ0C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gap junction protein (GJP) TTJO6E9 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01977755) Phase 2 Clinical Proof-of-Concept Study of the Cardioprotective Properties of Danegaptide in ST Segment Elevation Myocardial Infarction. U.S. National Institutes of Health.
2 The gap junction modifier, GAP-134 [(2S,4R)-1-(2-aminoacetyl)-4-benzamido-pyrrolidine-2-carboxylic acid], improves conduction and reduces atrial fibrillation/flutter in the canine sterile pericarditis model. J Pharmacol Exp Ther. 2009 Jun;329(3):1127-33.