| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3933726
Max Phase: Preclinical
Molecular Formula: C20H26N4O4
Molecular Weight: 386.45
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1
Standard InChI: InChI=1S/C20H26N4O4/c21-18(26)16-7-4-12-24(16)20(28)15(9-8-13-5-2-1-3-6-13)23-19(27)14-10-11-17(25)22-14/h1-3,5-6,14-16H,4,7-12H2,(H2,21,26)(H,22,25)(H,23,27)/t14-,15-,16-/m0/s1
Standard InChI Key: ZKGYSCIDBBYKKJ-JYJNAYRXSA-N
Associated Targets(non-human)
TRHDE Thyrotropin releasing hormone degrading enzyme (95 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Protein | 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: 386.45 | Molecular Weight (Monoisotopic): 386.1954 | AlogP: -0.14 | #Rotatable Bonds: 7 |
| Polar Surface Area: 121.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.43 | CX Basic pKa: | CX LogP: -0.40 | CX LogD: -0.40 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.60 | Np Likeness Score: -0.33 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):