Details of the Drug

General Information of Drug (ID: DMGD3XT)

• Drug Name: DRL-17822
• Synonyms: CETP inhibitor (dyslipidemia/atherosclerosis/cardiovascular diseases), Dr Reddy's

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Phase 2	[1]

• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 603.6
  Logarithm of the Partition Coefficient (xlogp); 7.9
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C30H31F6N7
  IUPAC Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
  Canonical SMILES: CC1=C2C(=CC=C1)C=C(C(=N2)N(CC3CC3)CC4CC4)CN(CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=NN(N=N6)C
  InChI: InChI=1S/C30H31F6N7/c1-18-4-3-5-22-12-23(27(37-26(18)22)42(14-19-6-7-19)15-20-8-9-20)17-43(28-38-40-41(2)39-28)16-21-10-24(29(31,32)33)13-25(11-21)30(34,35)36/h3-5,10-13,19-20H,6-9,14-17H2,1-2H3
  InChIKey: OCNBSSLDAIWTKS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58689743
  CAS Number: 898911-09-6
  TTD ID: D07UJA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholesteryl ester transfer protein (CETP)	TTFQAYR	CETP_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Arteriosclerosis
• ICD Disease Classification: BD40

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cholesteryl ester transfer protein (CETP)	DTT	CETP	8.86E-01	-0.1	-0.6

References

• [1] ClinicalTrials.gov (NCT01388816) A Safety and Efficacy Study of DRL-17822, a Cholesteryl Ester Transfer Protein (CETP) Inhibitor, in Patients With Abnormal Cholesterol Levels. U.S. National Institutes of Health.
• [2] The dyslipidaemia market. Nat Rev Drug Discov. 2014 Nov;13(11):807-8.