Details of the Drug

General Information of Drug (ID: DMQAEU8)

• Drug Name: EPIMER A
• Synonyms: CHEMBL564088; EPIMER A; BDBM50296787; N-((S)-2''-oxo-1,1'',2'',3-tetrahydrospiro[indene-2,3''-pyrrolo[2,3-b]pyridine]-5-yl)-2-(4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-1(2H)-yl)acetamide 2; N-((S)-2''-oxo-1,1'',2'',3-tetrahydrospiro[indene-2,3''-pyrrolo[2,3-b]pyridine]-5-yl)-2-(4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-1(2H)-yl)acetamide 1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 465.5
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C27H23N5O3
  IUPAC Name: 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
  Canonical SMILES: C1C2CN(C3=CC=CC(=C23)NC1=O)CC(=O)NC4=CC5=C(C[C@]6(C5)C7=C(NC6=O)N=CC=C7)C=C4
  InChI: InChI=1S/C27H23N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,17H,10-14H2,(H,29,34)(H,30,33)(H,28,31,35)/t17?,27-/m0/s1
  InChIKey: YMMTXWRRJUTBEI-LYTHVRBOSA-N
• Cross-matching ID:
  PubChem CID: 23582940
  TTD ID: D09TDY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcitonin gene-related peptide receptor (CGRPR)	TTY6O0Q	CALRL_HUMAN	Inhibitor	[1]

References

• [1] The identification of potent, orally bioavailable tricyclic CGRP receptor antagonists. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4740-2.