Details of the Drug

General Information of Drug (ID: DMTN16K)

• Drug Name: Implitapide
• Synonyms: Implitapide [INN]; (2S)-2-cyclopentyl-2-[3-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

Indication

Disease Entry	ICD 11	Status	REF
Hyperlipidaemia	5C80	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 531.7
  Logarithm of the Partition Coefficient (xlogp); 7.3
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C35H37N3O2
  IUPAC Name: (2S)-2-cyclopentyl-2-[3-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
  Canonical SMILES: CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6)C
  InChI: InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1
  InChIKey: AMNXBQPRODZJQR-DITALETJSA-N
• Cross-matching ID:
  PubChem CID: 5745206
  CAS Number: 177469-96-4
  DrugBank ID: DB04852
  TTD ID: D0F6YK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Microsomal triglyceride transfer protein (MTTP)	TTUS1RD	MTP_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hyperlipidaemia
• ICD Disease Classification: 5C80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Microsomal triglyceride transfer protein (MTTP)	DTT	MTTP	9.76E-02	0.13	0.68

References

• [1] ClinicalTrials.gov (NCT00080132) Implitapide in Patients With Hypertriglyceridemia (HTG) on Maximal, Concurrent Triglyceride-Lowering Therapy. U.S. National Institutes of Health.
• [2] Novel nonstatin strategies to lower low-density lipoprotein cholesterol. Curr Atheroscler Rep. 2009 Jan;11(1):67-70.