| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4756677
Max Phase: Preclinical
Molecular Formula: C23H30N2O5
Molecular Weight: 414.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(C(=O)O)c(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C
Standard InChI: InChI=1S/C23H30N2O5/c1-15(2)9-8-12-30-21-14-19(18(22(26)27)13-20(21)29-4)25-23(28)24-16(3)17-10-6-5-7-11-17/h5-7,10-11,13-16H,8-9,12H2,1-4H3,(H,26,27)(H2,24,25,28)/t16-/m0/s1
Standard InChI Key: KNEYBDJYRHSGFC-INIZCTEOSA-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: 414.50 | Molecular Weight (Monoisotopic): 414.2155 | AlogP: 5.09 | #Rotatable Bonds: 10 |
| Polar Surface Area: 96.89 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.59 | CX Basic pKa: | CX LogP: 5.29 | CX LogD: 1.94 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.47 | Np Likeness Score: -0.78 |
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):