ID: ALA1234046
Chembl Id: CHEMBL1234046
Cas Number: 26999-59-7
PubChem CID: 222656
Product Number: M119455(存档)
Max Phase: Preclinical
Molecular Formula: C4H6O5
Molecular Weight: 134.09
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(O)C[C@H](O)C(=O)O
Standard InChI: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
Standard InChI Key: BJEPYKJPYRNKOW-REOHCLBHSA-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: 134.09 | Molecular Weight (Monoisotopic): 134.0215 | AlogP: -1.09 | #Rotatable Bonds: 3 |
| Polar Surface Area: 94.83 | Molecular Species: ACID | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.20 | CX Basic pKa: | CX LogP: -1.11 | CX LogD: -6.81 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.46 | Np Likeness Score: 1.53 |
| 1. Langley GW, Abboud MI, Lohans CT, Schofield CJ.. (2019) Inhibition of a viral prolyl hydroxylase., 27 (12): [PMID:30737136] [10.1016/j.bmc.2019.01.018] |
Source(1):
