ID: ALA2074701
Chembl Id: CHEMBL2074701
Cas Number: 1981-49-3
PubChem CID: 683
Max Phase: Preclinical
Molecular Formula: C3H8O10P2
Molecular Weight: 266.04
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(OP(=O)(O)O)C(O)COP(=O)(O)O
Standard InChI: InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)
Standard InChI Key: LJQLQCAXBUHEAZ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: Yes | 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: 266.04 | Molecular Weight (Monoisotopic): 265.9593 | AlogP: -1.91 | #Rotatable Bonds: 5 |
| Polar Surface Area: 170.82 | Molecular Species: ACID | HBA: 6 | HBD: 5 |
| #RO5 Violations: ┄ | HBA (Lipinski): 10 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 1.01 | CX Basic pKa: ┄ | CX LogP: -2.30 | CX LogD: -9.20 |
| Aromatic Rings: ┄ | Heavy Atoms: 15 | QED Weighted: 0.35 | Np Likeness Score: 0.85 |
| 1. Chan BS, Endo S, Kanai N, Schuster VL.. (2002) Identification of lactate as a driving force for prostanoid transport by prostaglandin transporter PGT., 282 (1): [PMID:11997326] [10.1152/ajprenal.00151.2001] |
Source(1):
