Details of the Drug

General Information of Drug (ID: DMZHS9U)

• Drug Name: RS-93522
• Synonyms: 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid methyl 2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl diester; 2-[4-(2,3-Dihydroxypropoxy)phenyl]ethyl 2,6-dimethyl-3-(methoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-5-carboxylate

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 526.5
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C27H30N2O9
  IUPAC Name: 5-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)OCC(CO)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
  InChI: InChI=1S/C27H30N2O9/c1-16-23(26(32)36-3)25(19-5-4-6-20(13-19)29(34)35)24(17(2)28-16)27(33)37-12-11-18-7-9-22(10-8-18)38-15-21(31)14-30/h4-10,13,21,25,28,30-31H,11-12,14-15H2,1-3H3
  InChIKey: QLNAYPDWIWUVHP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 128487
  CAS Number: 104060-12-0
  TTD ID: D08ZAX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Blocker	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002793)
• [2] Intranasal delivery of RS-93522, a dihydropyridine-type calcium-channel antagonist. Pharm Res. 1991 Jan;8(1):134-5.