| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4757748
Max Phase: Preclinical
Molecular Formula: C23H32N2O4
Molecular Weight: 400.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(NC(=O)N[C@@H](C)c2ccccc2OC)cc1OCCCC(C)C
Standard InChI: InChI=1S/C23H32N2O4/c1-16(2)9-8-14-29-22-15-18(12-13-21(22)28-5)25-23(26)24-17(3)19-10-6-7-11-20(19)27-4/h6-7,10-13,15-17H,8-9,14H2,1-5H3,(H2,24,25,26)/t17-/m0/s1
Standard InChI Key: ZCKZFGWCYRDZLZ-KRWDZBQOSA-N
Associated Targets(Human)
Complement C5 49 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 400.52 | Molecular Weight (Monoisotopic): 400.2362 | AlogP: 5.40 | #Rotatable Bonds: 10 |
| Polar Surface Area: 68.82 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.69 | CX Basic pKa: | CX LogP: 4.82 | CX LogD: 4.82 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.52 | Np Likeness Score: -1.09 |
References
| 1. Cheng KJ,Hsieh CM,Nepali K,Liou JP. (2020) Ocular Disease Therapeutics: Design and Delivery of Drugs for Diseases of the Eye., 63 (19.0): [PMID:32482069] [10.1021/acs.jmedchem.9b01033] |
Source
Source(1):