| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5182189
Max Phase: Preclinical
Molecular Formula: C28H29N5O3
Molecular Weight: 483.57
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c(C(=O)N3CCN(c4c(C)n(C)c(=O)n(C)c4=O)CC3)cc(-c3ccccc3)nc12
Standard InChI: InChI=1S/C28H29N5O3/c1-18-9-8-12-21-22(17-23(29-24(18)21)20-10-6-5-7-11-20)26(34)33-15-13-32(14-16-33)25-19(2)30(3)28(36)31(4)27(25)35/h5-12,17H,13-16H2,1-4H3
Standard InChI Key: XJWQTHRRYYVSRG-UHFFFAOYSA-N
Associated Targets(Human)
Urokinase-type plasminogen activator/surface receptor 27 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 483.57 | Molecular Weight (Monoisotopic): 483.2270 | AlogP: 2.88 | #Rotatable Bonds: 3 |
| Polar Surface Area: 80.44 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.13 | CX LogP: 3.36 | CX LogD: 3.36 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.45 | Np Likeness Score: -1.35 |
References
| 1. Arancillo M, Lin CM, Burgess K.. (2022) Piptide Chemotypes for Perturbation of the Interaction of Urokinase with Its Receptor., 65 (19.0): [PMID:36166370] [10.1021/acs.jmedchem.2c00759] |
Source
Source(1):