| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683738
Max Phase: Preclinical
Molecular Formula: C21H19BrN6O3
Molecular Weight: 483.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)n1cc(NC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc21
Standard InChI: InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(25-16)26-19(29)18-13-8-11(13)9-28(18)21(31)24-14-10-27(20(23)30)15-5-2-1-4-12(14)15/h1-7,10-11,13,18H,8-9H2,(H2,23,30)(H,24,31)(H,25,26,29)/t11-,13-,18+/m1/s1
Standard InChI Key: NALXCSIISPAVNG-BVRBVLIYSA-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: 483.33 | Molecular Weight (Monoisotopic): 482.0702 | AlogP: 3.22 | #Rotatable Bonds: 3 |
| Polar Surface Area: 122.35 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.63 | CX Basic pKa: 0.33 | CX LogP: 2.11 | CX LogD: 2.11 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.50 | Np Likeness Score: -1.09 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):