Details of the Drug

General Information of Drug (ID: DM7FT8D)

• Drug Name: N,O-Didansyl-L-Tyrosine
• Synonyms: N,O-DIDANSYL-L-TYROSINE; CHEMBL176072; 1jg0; N,O-diansyl-L-tyrosine; AC1L9JPF; Dansyl derivative, DDT, 1L; Dansyltyrosine deriviative 21B; SCHEMBL4325460; ZINC24640039; BDBM50161779; Dansyl derivatives 18A, (R) isomer; DB03157; N,O-bis{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-tyrosine; (S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino)-3-[4-(5-dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-propionic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 647.8
  Logarithm of the Partition Coefficient (xlogp); 6.3
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C33H33N3O7S2
  IUPAC Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]propanoic acid
  Canonical SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)C(=O)O
  InChI: InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1
  InChIKey: LUBOPDUYHWABFG-NDEPHWFRSA-N
• Cross-matching ID:
  PubChem CID: 446468
  DrugBank ID: DB03157
  TTD ID: D0F1LA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.