| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5187565
Max Phase: Preclinical
Molecular Formula: C24H37N7O5
Molecular Weight: 503.60
Associated Items:
Representations
Canonical SMILES: NC(=O)C[C@H](C(=O)N1CCN([C@H](CO)C(N)=O)CC1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1
Standard InChI: InChI=1S/C24H37N7O5/c25-18(14-17-4-2-1-3-5-17)23(35)30-10-6-28(7-11-30)19(15-21(26)33)24(36)31-12-8-29(9-13-31)20(16-32)22(27)34/h1-5,18-20,32H,6-16,25H2,(H2,26,33)(H2,27,34)/t18-,19-,20-/m1/s1
Standard InChI Key: PGVPCYDMMKCMDT-VAMGGRTRSA-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: 503.60 | Molecular Weight (Monoisotopic): 503.2856 | AlogP: -3.06 | #Rotatable Bonds: 10 |
| Polar Surface Area: 179.53 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 12 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: | CX Basic pKa: 8.00 | CX LogP: -3.16 | CX LogD: -3.88 |
| Aromatic Rings: 1 | Heavy Atoms: 36 | QED Weighted: 0.26 | Np Likeness Score: -0.35 |
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):