| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683754
Max Phase: Preclinical
Molecular Formula: C27H26F4N4O6
Molecular Weight: 578.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCOc1ccc2c(c1)c(C(C)=O)nn2CC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F
Standard InChI: InChI=1S/C27H26F4N4O6/c1-14(36)25-17-12-16(40-9-8-39-2)6-7-19(17)34(33-25)13-23(37)35-20-10-15(20)11-21(35)26(38)32-18-4-3-5-22(24(18)28)41-27(29,30)31/h3-7,12,15,20-21H,8-11,13H2,1-2H3,(H,32,38)/t15-,20-,21+/m1/s1
Standard InChI Key: XYYMUFWJRZPALG-LPTQZCDUSA-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: 578.52 | Molecular Weight (Monoisotopic): 578.1788 | AlogP: 3.93 | #Rotatable Bonds: 10 |
| Polar Surface Area: 111.99 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.27 | CX Basic pKa: | CX LogP: 3.33 | CX LogD: 3.33 |
| Aromatic Rings: 3 | Heavy Atoms: 41 | QED Weighted: 0.22 | Np Likeness Score: -1.19 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):