Details of the Drug

General Information of Drug (ID: DMRBKW6)

• Drug Name: PD173212
• Synonyms: PD 173212; 217171-01-2; PD173212; CHEMBL299749; N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-(phenylmethyl)-L-Tyrosinamide; SCHEMBL8188148; DTXSID10432752; MolPort-006-822-718; ZINC3941150; BDBM50078723; ABP000999; AKOS024457680; CS-7879; NCGC00347242-02; DB-066610; HY-103318; B7424; FT-0773764; J-014254; N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide; (S)-2-[(4-tert-Butyl-benzyl)-methyl-amino]-4-methyl-pentanoic acid [(S)-2-(4-

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Investigative	[1]

• Therapeutic Class: Analgesics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 599.8
  Logarithm of the Partition Coefficient (xlogp); 8.3
  Rotatable Bond Count (rotbonds); 15
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C38H53N3O3
  IUPAC Name: (2S)-N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
  Canonical SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(C)(C)C)N(C)CC3=CC=C(C=C3)C(C)(C)C
  InChI: InChI=1S/C38H53N3O3/c1-27(2)23-34(41(9)25-29-15-19-31(20-16-29)37(3,4)5)36(43)39-33(35(42)40-38(6,7)8)24-28-17-21-32(22-18-28)44-26-30-13-11-10-12-14-30/h10-22,27,33-34H,23-26H2,1-9H3,(H,39,43)(H,40,42)/t33-,34-/m0/s1
  InChIKey: GCDHMGROXQUFNR-HEVIKAOCSA-N
• Cross-matching ID:
  PubChem CID: 9916734
  CAS Number: 217171-01-2
  TTD ID: D0PE8P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated L-type calcium channel (L-CaC)	TTXHYV6	NOUNIPROTAC	Blocker	[1]

References

• [1] Recent updates of N-type calcium channel blockers with therapeutic potential for neuropathic pain and stroke. Curr Top Med Chem. 2009;9(4):377-95.