Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
ID: ALA390655
Max Phase: Preclinical
Molecular Formula: C3H9N2O5P
Molecular Weight: 184.09
Molecule Type: Small molecule
Associated Items:
ID: ALA390655
Max Phase: Preclinical
Molecular Formula: C3H9N2O5P
Molecular Weight: 184.09
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: NC(CC(=O)NO)P(=O)(O)O
Standard InChI: InChI=1S/C3H9N2O5P/c4-2(11(8,9)10)1-3(6)5-7/h2,7H,1,4H2,(H,5,6)(H2,8,9,10)
Standard InChI Key: OEJXQNNCFNLFQK-UHFFFAOYSA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
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 |
---|
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
---|
Molecular Weight: 184.09 | Molecular Weight (Monoisotopic): 184.0249 | AlogP: -1.66 | #Rotatable Bonds: 3 |
Polar Surface Area: 132.88 | Molecular Species: ZWITTERION | HBA: 4 | HBD: 5 |
#RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
CX Acidic pKa: -0.25 | CX Basic pKa: 8.58 | CX LogP: -3.98 | CX LogD: -4.63 |
Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.20 | Np Likeness Score: 0.42 |
1. 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] |
Source(1):