| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683745
Max Phase: Preclinical
Molecular Formula: C27H23F4N5O5
Molecular Weight: 573.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(OC(C)C#N)cc12
Standard InChI: InChI=1S/C27H23F4N5O5/c1-13(11-32)40-16-6-7-19-17(10-16)25(14(2)37)34-35(19)12-23(38)36-20-8-15(20)9-21(36)26(39)33-18-4-3-5-22(24(18)28)41-27(29,30)31/h3-7,10,13,15,20-21H,8-9,12H2,1-2H3,(H,33,39)/t13?,15-,20-,21+/m1/s1
Standard InChI Key: UVXHAQOQYMGHHJ-IKHAONBBSA-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: 573.50 | Molecular Weight (Monoisotopic): 573.1635 | AlogP: 4.20 | #Rotatable Bonds: 8 |
| Polar Surface Area: 126.55 | 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: 3.48 | CX LogD: 3.48 |
| Aromatic Rings: 3 | Heavy Atoms: 41 | QED Weighted: 0.32 | Np Likeness Score: -1.22 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):