| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4475278
Max Phase: Preclinical
Molecular Formula: C5H9NO
Molecular Weight: 99.13
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC1CCCC1=O
Standard InChI: InChI=1S/C5H9NO/c6-4-2-1-3-5(4)7/h4H,1-3,6H2
Standard InChI Key: XBPWUNNYJOLFGX-UHFFFAOYSA-N
Associated Targets(non-human)
Dihydrodipicolinate synthase 65 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 99.13 | Molecular Weight (Monoisotopic): 99.0684 | AlogP: 0.07 | #Rotatable Bonds: 0 |
| Polar Surface Area: 43.09 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.13 | CX LogP: 0.07 | CX LogD: -0.74 |
| Aromatic Rings: 0 | Heavy Atoms: 7 | QED Weighted: 0.47 | Np Likeness Score: 0.63 |
References
| 1. (2019) 10 (9): [10.1039/C9MD00107G] |
Source
Source(1):