| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2144913
Max Phase: Preclinical
Molecular Formula: C11H12N2O5
Molecular Weight: 252.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)C12C(=O)NC(=O)C1(C(=O)O)C21CCCC1
Standard InChI: InChI=1S/C11H12N2O5/c12-5(14)10-6(15)13-7(16)11(10,8(17)18)9(10)3-1-2-4-9/h1-4H2,(H2,12,14)(H,17,18)(H,13,15,16)
Standard InChI Key: PTDYRQXSLSDVQL-UHFFFAOYSA-N
Associated Targets(Human)
Glycoprotein hormones alpha chain 29278 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: 252.23 | Molecular Weight (Monoisotopic): 252.0746 | AlogP: -1.24 | #Rotatable Bonds: 2 |
| Polar Surface Area: 126.56 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.46 | CX Basic pKa: | CX LogP: -1.11 | CX LogD: -4.51 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.42 | Np Likeness Score: 0.78 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):