Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03GJB
|
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| Former ID |
DNC003242
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| Drug Name |
Pteroic Acid
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C14H12N6O3
|
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| Canonical SMILES |
C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
|
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| InChI |
1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
|
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| InChIKey |
JOAQINSXLLMRCV-UHFFFAOYSA-N
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| CAS Number |
CAS 119-24-4
|
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| PubChem Compound ID | ||||
| PubChem Substance ID |
9784, 78959, 822178, 830271, 830742, 6276589, 7743217, 7890074, 8036222, 14874324, 16548676, 17425052, 17425314, 17425315, 24898244, 44425586, 46391583, 46505016, 50677726, 57335978, 57654505, 85089021, 95697292, 99031151, 103381699, 103843808, 104170941, 104414372, 117545782, 125267661, 125363008, 128302740, 134964925, 134964959, 135053222, 137072713, 137127740, 137141581, 139676956, 142465468, 152134981, 160658667, 160661036, 160967246, 162202202, 163125604, 163408372, 163819309, 163848150, 163884594
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| ChEBI ID |
CHEBI:27623
|
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Dihydropteroate synthetase (Bact folP) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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