| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683717
Max Phase: Preclinical
Molecular Formula: C21H19BrN6O3
Molecular Weight: 483.33
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)Nc2cncc(Br)n2)c2ccccc12
Standard InChI: InChI=1S/C21H19BrN6O3/c1-11(29)20-13-4-2-3-5-14(13)27(26-20)10-19(30)28-15-6-12(15)7-16(28)21(31)25-18-9-23-8-17(22)24-18/h2-5,8-9,12,15-16H,6-7,10H2,1H3,(H,24,25,31)/t12-,15-,16+/m1/s1
Standard InChI Key: KEFSJQBWQBFDEK-WQVCFCJDSA-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: 2.42 | #Rotatable Bonds: 5 |
| Polar Surface Area: 110.08 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.98 | CX Basic pKa: | CX LogP: 1.10 | CX LogD: 1.10 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.56 | Np Likeness Score: -0.96 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):