| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3953573
Max Phase: Preclinical
Molecular Formula: C19H24N4O5
Molecular Weight: 388.42
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)N1
Standard InChI: InChI=1S/C19H24N4O5/c20-17(26)15-2-1-9-23(15)19(28)14(10-11-3-5-12(24)6-4-11)22-18(27)13-7-8-16(25)21-13/h3-6,13-15,24H,1-2,7-10H2,(H2,20,26)(H,21,25)(H,22,27)/t13-,14-,15-/m0/s1
Standard InChI Key: QFMGVKYIXZPFFF-KKUMJFAQSA-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: 388.42 | Molecular Weight (Monoisotopic): 388.1747 | AlogP: -0.83 | #Rotatable Bonds: 6 |
| Polar Surface Area: 141.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.50 | CX Basic pKa: | CX LogP: -1.14 | CX LogD: -1.15 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.50 | Np Likeness Score: -0.18 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):