| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4550530
Max Phase: Preclinical
Molecular Formula: C36H43N3O6
Molecular Weight: 613.76
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC[C@H]1CC[C@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1
Standard InChI: InChI=1S/C36H43N3O6/c37-23-26-14-16-30(17-15-26)35(42)39-32(13-7-8-22-38-36(43)45-24-27-9-3-1-4-10-27)33(40)25-44-31-20-18-29(19-21-31)34(41)28-11-5-2-6-12-28/h1-6,9-12,18-21,26,30,32H,7-8,13-17,22-25,37H2,(H,38,43)(H,39,42)/t26-,30-,32-/m0/s1
Standard InChI Key: OYTXYKWUMMBPBX-SWCXXNJTSA-N
Associated Targets(Human)
Plasminogen 2339 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: 613.76 | Molecular Weight (Monoisotopic): 613.3152 | AlogP: 5.21 | #Rotatable Bonds: 16 |
| Polar Surface Area: 136.82 | Molecular Species: BASE | HBA: 7 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 12.70 | CX Basic pKa: 10.02 | CX LogP: 5.51 | CX LogD: 3.03 |
| Aromatic Rings: 3 | Heavy Atoms: 45 | QED Weighted: 0.15 | Np Likeness Score: -0.52 |
References
| 1. Steinmetzer T, Pilgram O, Wenzel BM, Wiedemeyer SJA.. (2020) Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding., 63 (4): [PMID:31658420] [10.1021/acs.jmedchem.9b01060] |
Source
Source(1):