ID: ALA3921386
Chembl Id: CHEMBL3921386
PubChem CID: 145949138
Max Phase: Preclinical
Molecular Formula: C3H8NNaO4
Molecular Weight: 145.09
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(=O)[O-].N.O=CO.[Na+]
Standard InChI: InChI=1S/C2H4O2.CH2O2.H3N.Na/c1-2(3)4;2-1-3;;/h1H3,(H,3,4);1H,(H,2,3);1H3;/q;;;+1/p-1
Standard InChI Key: MMHLYXUIDGOFGD-UHFFFAOYSA-M
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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: 145.09 | Molecular Weight (Monoisotopic): 145.0351 | AlogP: ┄ | #Rotatable Bonds: ┄ |
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| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. (2001) Identification of modulators of GPR41 or GPR42 activity, |
Source(1):
