| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4544648
Max Phase: Preclinical
Molecular Formula: C34H43N5O4
Molecular Weight: 585.75
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1
Standard InChI: InChI=1S/C34H43N5O4/c1-3-23(2)30(36)34(43)39-29(22-24-12-6-4-7-13-24)33(42)38-28(16-10-11-21-35)32(41)37-27-19-17-26(18-20-27)31(40)25-14-8-5-9-15-25/h4-9,12-15,17-20,23,28-30H,3,10-11,16,21-22,35-36H2,1-2H3,(H,37,41)(H,38,42)(H,39,43)/t23-,28+,29+,30-/m1/s1
Standard InChI Key: LQCSAVLURRTZMD-UJLGHMMASA-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: 585.75 | Molecular Weight (Monoisotopic): 585.3315 | AlogP: 3.57 | #Rotatable Bonds: 16 |
| Polar Surface Area: 156.41 | Molecular Species: BASE | HBA: 6 | HBD: 5 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 12.08 | CX Basic pKa: 10.20 | CX LogP: 4.10 | CX LogD: 0.63 |
| Aromatic Rings: 3 | Heavy Atoms: 43 | QED Weighted: 0.13 | Np Likeness Score: -0.14 |
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):