Details of the Drug

General Information of Drug (ID: DMV1ES3)

• Drug Name: AZALANSTAT
• Synonyms: Azalanstat; RS-21607; UNII-2NL79NI1WS; 143393-27-5; 2NL79NI1WS; CHEMBL70611; 1-(((2S,4S)-4-(((p-Aminophenyl)thio)methyl)-2-(p-chlorophenethyl)-1,3-dioxolan-2-yl)methyl)imidazole; 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline; Azalanstat [INN]; RS-21607197; RS 21607; AC1Q3NQV; AC1L1U3F; SCHEMBL1230519; GTPL8799; 4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine; BDBM50044424; compound 1 [PMID: 8340925]; Benzenamine, 4

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 430
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H24ClN3O2S
  IUPAC Name: 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline
  Canonical SMILES: C1[C@H](O[C@@](O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)CSC4=CC=C(C=C4)N
  InChI: InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
  InChIKey: VYNIUBZKEWJOJP-UNMCSNQZSA-N
• Cross-matching ID:
  PubChem CID: 60876
  ChEBI ID: CHEMBL70611
  CAS Number: 143393-27-5
  TTD ID: D0SX7F
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Cytochrome P450 51 (Candi ERG11)	TTTSOUD	CP51_CANAL	Modulator	[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 800002302)
• [2] Azalanstat (RS-21607), a lanosterol 14 alpha-demethylase inhibitor with cholesterol-lowering activity. Biochem Pharmacol. 1995 Aug 8;50(4):529-44.