Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06YIB
|
|||
| Former ID |
DNC000525
|
|||
| Drug Name |
DDATHF
|
|||
| Synonyms |
DATHF; 95693-76-8; 5,10-dideazatetrahydrofolate; 5,10-Dideaza-5,6,7,8-tetrahydrofolic acid; 5,10-dideazatetrahydrofolic acid; L-Glutamic acid,N-[4-[2-(2-amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]-; L-Glutamic acid, N-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-; C21H25N5O6; AC1L2XXH; Pyrido(2,3-d)pyrimidine, L-glutamic acid deriv; CHEMBL142806; SCHEMBL9045915; ZUQBAQVRAURMCL-CVRLYYSRSA-N; 5,10-Dideazatetrahydrofolic Acid
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C21H25N5O6
|
|||
| Canonical SMILES |
C1C(CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
|
|||
| InChI |
1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)
|
|||
| InChIKey |
ZUQBAQVRAURMCL-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GAR transformylase (GART) | Target Info | Modulator | [2] |
| Polypeptide deformylase (PDF) | Target Info | Inhibitor | [1] | |
| Pathwhiz Pathway | Folate Metabolism | |||
| Pterine Biosynthesis | ||||
| Reactome | E2F mediated regulation of DNA replication | |||
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | ||||
| Metabolism of folate and pterines | ||||
| G1/S-Specific Transcription | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| REF 2 | Rational design, synthesis, evaluation, and crystal structure of a potent inhibitor of human GAR Tfase: 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,... Biochemistry. 2003 May 27;42(20):6043-56. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.