| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3979457
Max Phase: Preclinical
Molecular Formula: C24H21F4N5O5
Molecular Weight: 535.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cccc(OC(F)(F)F)c3F)C[C@@]3(CO)C[C@@H]23)c2ccccc12
Standard InChI: InChI=1S/C24H21F4N5O5/c25-19-13(5-3-7-16(19)38-24(26,27)28)30-22(37)15-8-23(11-34)9-17(23)33(15)18(35)10-32-14-6-2-1-4-12(14)20(31-32)21(29)36/h1-7,15,17,34H,8-11H2,(H2,29,36)(H,30,37)/t15-,17+,23-/m0/s1
Standard InChI Key: RPRPRLDDRHZIAC-JCEJCQQGSA-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: 535.45 | Molecular Weight (Monoisotopic): 535.1479 | AlogP: 2.16 | #Rotatable Bonds: 7 |
| Polar Surface Area: 139.78 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.27 | CX Basic pKa: | CX LogP: 1.93 | CX LogD: 1.93 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.40 | Np Likeness Score: -1.10 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):