| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3920357
Max Phase: Preclinical
Molecular Formula: C20H24N2O8
Molecular Weight: 420.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)[C@H]1CCCN1C(=O)Cc1cc(O)c(CC(=O)N2CCC[C@@H]2C(=O)O)cc1O
Standard InChI: InChI=1S/C20H24N2O8/c23-15-8-12(10-18(26)22-6-2-4-14(22)20(29)30)16(24)7-11(15)9-17(25)21-5-1-3-13(21)19(27)28/h7-8,13-14,23-24H,1-6,9-10H2,(H,27,28)(H,29,30)/t13-,14-/m1/s1
Standard InChI Key: IPZWCXLEFSLPJI-ZIAGYGMSSA-N
Associated Targets(Human)
Serum amyloid P-component 232 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: 420.42 | Molecular Weight (Monoisotopic): 420.1533 | AlogP: 0.33 | #Rotatable Bonds: 6 |
| Polar Surface Area: 155.68 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.00 | CX Basic pKa: | CX LogP: 0.11 | CX LogD: -6.74 |
| Aromatic Rings: 1 | Heavy Atoms: 30 | QED Weighted: 0.48 | Np Likeness Score: 0.01 |
References
| 1. (2006) Compounds inhibiting the binding of sap for treating osteoarthritis, |
Source
Source(1):