| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683746
Max Phase: Preclinical
Molecular Formula: C29H28F4N4O6
Molecular Weight: 604.56
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(OCC3CCCO3)cc12
Standard InChI: InChI=1S/C29H28F4N4O6/c1-15(38)27-19-12-17(42-14-18-4-3-9-41-18)7-8-21(19)36(35-27)13-25(39)37-22-10-16(22)11-23(37)28(40)34-20-5-2-6-24(26(20)30)43-29(31,32)33/h2,5-8,12,16,18,22-23H,3-4,9-11,13-14H2,1H3,(H,34,40)/t16-,18?,22-,23+/m1/s1
Standard InChI Key: PNOSDGFOWUNNAC-NQGDMDSPSA-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: 604.56 | Molecular Weight (Monoisotopic): 604.1945 | AlogP: 4.46 | #Rotatable Bonds: 9 |
| 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: 3.80 | CX LogD: 3.80 |
| Aromatic Rings: 3 | Heavy Atoms: 43 | QED Weighted: 0.28 | Np Likeness Score: -1.00 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):