| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3922756
Max Phase: Preclinical
Molecular Formula: C14H21N5O5
Molecular Weight: 339.35
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
Standard InChI: InChI=1S/C14H21N5O5/c15-10(20)6-8(18-13(23)7-3-4-11(21)17-7)14(24)19-5-1-2-9(19)12(16)22/h7-9H,1-6H2,(H2,15,20)(H2,16,22)(H,17,21)(H,18,23)/t7-,8+,9-/m0/s1
Standard InChI Key: LLRIQFIHWHSMMB-YIZRAAEISA-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: 339.35 | Molecular Weight (Monoisotopic): 339.1543 | AlogP: -2.90 | #Rotatable Bonds: 6 |
| Polar Surface Area: 164.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.21 | CX Basic pKa: | CX LogP: -3.95 | CX LogD: -3.95 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.41 | Np Likeness Score: -0.32 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):