| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683755
Max Phase: Preclinical
Molecular Formula: C24H21ClF3N3O3
Molecular Weight: 491.90
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)[C@@H](F)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Standard InChI: InChI=1S/C24H21ClF3N3O3/c1-13(32)16-10-30(19-8-3-2-6-15(16)19)12-20(33)31-11-18(26)22(28)23(31)24(34)29-9-14-5-4-7-17(25)21(14)27/h2-8,10,18,22-23H,9,11-12H2,1H3,(H,29,34)/t18-,22+,23-/m0/s1
Standard InChI Key: HFXDBNXNVMRCNQ-NMNUPHIUSA-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: 491.90 | Molecular Weight (Monoisotopic): 491.1224 | AlogP: 3.84 | #Rotatable Bonds: 6 |
| Polar Surface Area: 71.41 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.47 | CX Basic pKa: | CX LogP: 2.90 | CX LogD: 2.90 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.53 | Np Likeness Score: -1.29 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):