| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4238859
Max Phase: Preclinical
Molecular Formula: C5H9N3O2
Molecular Weight: 143.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NNC(=O)[C@@H]1CCC(=O)N1
Standard InChI: InChI=1S/C5H9N3O2/c6-8-5(10)3-1-2-4(9)7-3/h3H,1-2,6H2,(H,7,9)(H,8,10)/t3-/m0/s1
Standard InChI Key: UVODKQNEOJXKPD-VKHMYHEASA-N
Associated Targets(non-human)
Bacillus thuringiensis 718 Activities
Molecule Features
| 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 |
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: 143.15 | Molecular Weight (Monoisotopic): 143.0695 | AlogP: -1.75 | #Rotatable Bonds: 1 |
| Polar Surface Area: 84.22 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.30 | CX Basic pKa: 2.83 | CX LogP: -1.99 | CX LogD: -1.99 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.23 | Np Likeness Score: -0.53 |
References
| 1. Gang FL, Zhu F, Li XT, Wei JL, Wu WJ, Zhang JW.. (2018) Synthesis and bioactivities evaluation of l-pyroglutamic acid analogues from natural product lead., 26 (16): [PMID:30119995] [10.1016/j.bmc.2018.07.041] |
Source
Source(1):