Details of the Drug

General Information of Drug (ID: DMVTLF9)

• Drug Name: (10r)-10-Formyl-5,8,10-Trideazafolic Acid
• Synonyms: (10R)-10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID; NHR; 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID; 1c3e; AC1L9GSR; DB04264; 8937-EP2308866A1; 8937-EP2308846A2; 8937-EP2305697A2; 8937-EP2298780A1; 8937-EP2277872A1; 8937-EP2316829A1; 8937-EP2308872A1; 8937-EP2308845A2; 8937-EP2305698A2; 8937-EP2305695A2; 8937-EP2301932A1; 8937-EP2287167A1; 8937-EP2283898A1; 8937-EP2281563A1; 8937-EP2316459A1; 8937-EP2308844A2; 8937-EP2277869A1; 8937-EP2270018A1; 8937-EP2308812A2; 8937-EP2305696A2

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 482.4
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C23H22N4O8
  IUPAC Name: (2S)-2-[[4-[(1R)-2-(2-amino-4-oxo-3H-quinazolin-6-yl)-1-carboxyethyl]benzoyl]amino]pentanedioic acid
  Canonical SMILES: C1=CC(=CC=C1[C@@H](CC2=CC3=C(C=C2)N=C(NC3=O)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
  InChI: InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17+/m1/s1
  InChIKey: DAOQLLQRJAXMGY-PBHICJAKSA-N
• Cross-matching ID:
  PubChem CID: 135460968
  DrugBank ID: DB04264
  TTD ID: D0E0CV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycinamide ribonucleotide formyltransferase (GART)	TTEXB9Z	PUR2_HUMAN	Inhibitor	[1]

References

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