| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3920170
Max Phase: Preclinical
Molecular Formula: C25H24ClFN4O4
Molecular Weight: 498.94
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)c1nc(CC(=O)N2[C@H](C(=O)NCc3cccc(Cl)c3F)C[C@@]3(CO)C[C@@H]23)n2ccccc12
Standard InChI: InChI=1S/C25H24ClFN4O4/c1-14(33)23-17-7-2-3-8-30(17)20(29-23)9-21(34)31-18(10-25(13-32)11-19(25)31)24(35)28-12-15-5-4-6-16(26)22(15)27/h2-8,18-19,32H,9-13H2,1H3,(H,28,35)/t18-,19+,25-/m0/s1
Standard InChI Key: WWVNQVDXQRDQAT-CEYNDMKZSA-N
Associated Targets(Human)
Complement factor D 1353 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: 498.94 | Molecular Weight (Monoisotopic): 498.1470 | AlogP: 2.54 | #Rotatable Bonds: 7 |
| Polar Surface Area: 104.01 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.28 | CX Basic pKa: 5.03 | CX LogP: 1.04 | CX LogD: 1.04 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.49 | Np Likeness Score: -0.91 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):