| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683741
Max Phase: Preclinical
Molecular Formula: C23H29N5O5
Molecular Weight: 455.52
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cccnc21
Standard InChI: InChI=1S/C23H29N5O5/c1-12(2)8-16(23(32)33-4)25-22(31)18-10-14-9-17(14)28(18)19(30)11-27-21-15(6-5-7-24-21)20(26-27)13(3)29/h5-7,12,14,16-18H,8-11H2,1-4H3,(H,25,31)/t14-,16+,17-,18+/m1/s1
Standard InChI Key: XNEIJRCPUOUTEN-SPUZQDLCSA-N
Associated Targets(Human)
Complement factor D 1353 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Protein | 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: 455.52 | Molecular Weight (Monoisotopic): 455.2169 | AlogP: 1.33 | #Rotatable Bonds: 8 |
| Polar Surface Area: 123.49 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.90 | CX Basic pKa: | CX LogP: 0.54 | CX LogD: 0.54 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.47 | Np Likeness Score: -0.59 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):