| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683730
Max Phase: Preclinical
Molecular Formula: C21H20BrFN6O4
Molecular Weight: 519.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO[C@H]1[C@@H](C(=O)Nc2cccc(Br)n2)N(C(=O)Cn2nc(C(N)=O)c3ccccc32)C[C@@H]1F
Standard InChI: InChI=1S/C21H20BrFN6O4/c1-33-19-12(23)9-28(18(19)21(32)26-15-8-4-7-14(22)25-15)16(30)10-29-13-6-3-2-5-11(13)17(27-29)20(24)31/h2-8,12,18-19H,9-10H2,1H3,(H2,24,31)(H,25,26,32)/t12-,18-,19+/m0/s1
Standard InChI Key: NZTSVVWJDIWPPJ-YXKWSERDSA-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: 519.33 | Molecular Weight (Monoisotopic): 518.0713 | AlogP: 1.50 | #Rotatable Bonds: 6 |
| Polar Surface Area: 132.44 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.74 | CX Basic pKa: | CX LogP: 1.35 | CX LogD: 1.35 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.47 | Np Likeness Score: -1.32 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):