| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3896331
Max Phase: Preclinical
Molecular Formula: C20H24N2O6
Molecular Weight: 388.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1
Standard InChI: InChI=1S/C20H24N2O6/c23-17(21-9-1-3-15(21)19(25)26)11-13-5-7-14(8-6-13)12-18(24)22-10-2-4-16(22)20(27)28/h5-8,15-16H,1-4,9-12H2,(H,25,26)(H,27,28)/t15-,16-/m1/s1
Standard InChI Key: RFQSBZVDGWODLX-HZPDHXFCSA-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: 388.42 | Molecular Weight (Monoisotopic): 388.1634 | AlogP: 0.92 | #Rotatable Bonds: 6 |
| Polar Surface Area: 115.22 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.53 | CX Basic pKa: | CX LogP: 0.72 | CX LogD: -5.78 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.75 | Np Likeness Score: -0.37 |
References
| 1. (2006) Compounds inhibiting the binding of sap for treating osteoarthritis, |
Source
Source(1):