| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1615238
Max Phase: Preclinical
Molecular Formula: C4H6O3
Molecular Weight: 102.09
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=CCCC(=O)O
Standard InChI: InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
Standard InChI Key: UIUJIQZEACWQSV-UHFFFAOYSA-N
Associated Targets(non-human)
Dihydrodipicolinate synthase 65 Activities
Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 102.09 | Molecular Weight (Monoisotopic): 102.0317 | AlogP: 0.05 | #Rotatable Bonds: 3 |
| Polar Surface Area: 54.37 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.13 | CX Basic pKa: | CX LogP: -0.56 | CX LogD: -3.64 |
| Aromatic Rings: 0 | Heavy Atoms: 7 | QED Weighted: 0.51 | Np Likeness Score: 2.04 |
References
| 1. (2019) 10 (9): [10.1039/C9MD00107G] |
Source
Source(1):