| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683744
Max Phase: Preclinical
Molecular Formula: C21H18F3N7O3
Molecular Weight: 473.42
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)Nc2nccc(C(F)(F)F)n2)c2ncccc12
Standard InChI: InChI=1S/C21H18F3N7O3/c1-10(32)17-12-3-2-5-25-18(12)30(29-17)9-16(33)31-13-7-11(13)8-14(31)19(34)28-20-26-6-4-15(27-20)21(22,23)24/h2-6,11,13-14H,7-9H2,1H3,(H,26,27,28,34)/t11-,13-,14+/m1/s1
Standard InChI Key: YUUJUHBURSDCHL-BNOWGMLFSA-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: 473.42 | Molecular Weight (Monoisotopic): 473.1423 | AlogP: 2.07 | #Rotatable Bonds: 5 |
| Polar Surface Area: 122.97 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.80 | CX Basic pKa: 1.21 | CX LogP: 1.13 | CX LogD: 1.13 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.56 | Np Likeness Score: -1.27 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):