| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3947560
Max Phase: Preclinical
Molecular Formula: C18H22N4O4
Molecular Weight: 358.40
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1
Standard InChI: InChI=1S/C18H22N4O4/c19-16(24)13-7-4-10-22(13)18(26)15(11-5-2-1-3-6-11)21-17(25)12-8-9-14(23)20-12/h1-3,5-6,12-13,15H,4,7-10H2,(H2,19,24)(H,20,23)(H,21,25)/t12-,13-,15-/m0/s1
Standard InChI Key: DWSAWVUZVYLTJB-YDHLFZDLSA-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: 358.40 | Molecular Weight (Monoisotopic): 358.1641 | AlogP: -0.40 | #Rotatable Bonds: 5 |
| 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: 11.28 | CX Basic pKa: | CX LogP: -1.13 | CX LogD: -1.13 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.66 | Np Likeness Score: -0.66 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):