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
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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