ID: ALA371668
Max Phase: Preclinical
Molecular Formula: C2H6NO6P
Molecular Weight: 171.04
Molecule Type: Small molecule
Associated Items:
Synonyms (3): Phosphoglycolohydroxamate | Phosphoglycolohydroxamic Acid | Phosphoric Acid Monohydroxycarbamoylmethyl Ester
Synonyms from Alternative Forms(3):
Canonical SMILES: O=C(COP(=O)(O)O)NO
Standard InChI: InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
Standard InChI Key: BAXHHWZKQZIJID-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 171.04 | Molecular Weight (Monoisotopic): 170.9933 | AlogP: -1.40 | #Rotatable Bonds: 3 |
| Polar Surface Area: 116.09 | Molecular Species: ACID | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.32 | CX Basic pKa: | CX LogP: -1.97 | CX LogD: -5.44 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.24 | Np Likeness Score: 0.53 |
| 1. Fonvielle M, Weber P, Dabkowska K, Therisod M.. (2004) New highly selective inhibitors of class II fructose-1,6-bisphosphate aldolases., 14 (11): [PMID:15125960] [10.1016/j.bmcl.2004.03.040] |
| 2. Fonvielle M, Mariano S, Therisod M.. (2005) New inhibitors of rabbit muscle triose-phosphate isomerase., 15 (11): [PMID:15911278] [10.1016/j.bmcl.2005.03.061] |
| 3. Gavalda S, Braga R, Dax C, Vigroux A, Blonski C.. (2005) N-Sulfonyl hydroxamate derivatives as inhibitors of class II fructose-1,6-diphosphate aldolase., 15 (24): [PMID:16236509] [10.1016/j.bmcl.2005.09.006] |
| 4. Fonvielle M, Therisod H, Hemery M, Therisod M.. (2007) New competitive inhibitors of cytosolic (NADH-dependent) rabbit muscle glycerophosphate dehydrogenase., 17 (2): [PMID:17088060] [10.1016/j.bmcl.2006.10.030] |
| 5. Yep A, Sorenson RJ, Wilson MR, Showalter HD, Larsen SD, Keller PR, Woodard RW.. (2011) Enediol mimics as inhibitors of the D-arabinose 5-phosphate isomerase (KdsD) from Francisella tularensis., 21 (9): [PMID:21236668] [10.1016/j.bmcl.2010.12.066] |
Source(1):
