| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3965464
Max Phase: Preclinical
Molecular Formula: C24H26N2O6
Molecular Weight: 438.48
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)c2ccccc12
Standard InChI: InChI=1S/C24H26N2O6/c27-21(25-11-3-7-19(25)23(29)30)13-15-9-10-16(18-6-2-1-5-17(15)18)14-22(28)26-12-4-8-20(26)24(31)32/h1-2,5-6,9-10,19-20H,3-4,7-8,11-14H2,(H,29,30)(H,31,32)/t19-,20-/m1/s1
Standard InChI Key: HPBMSFHSKAZEQO-WOJBJXKFSA-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: 438.48 | Molecular Weight (Monoisotopic): 438.1791 | AlogP: 2.08 | #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: 3.66 | CX Basic pKa: | CX LogP: 1.71 | CX LogD: -4.65 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.71 | Np Likeness Score: -0.34 |
References
| 1. (2006) Compounds inhibiting the binding of sap for treating osteoarthritis, |
Source
Source(1):