| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3931015
Max Phase: Preclinical
Molecular Formula: C15H24N4O4
Molecular Weight: 324.38
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
Standard InChI: InChI=1S/C15H24N4O4/c1-8(2)12(18-14(22)9-5-6-11(20)17-9)15(23)19-7-3-4-10(19)13(16)21/h8-10,12H,3-7H2,1-2H3,(H2,16,21)(H,17,20)(H,18,22)/t9-,10-,12-/m0/s1
Standard InChI Key: UUHCMPUVYJWCBO-NHCYSSNCSA-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: 324.38 | Molecular Weight (Monoisotopic): 324.1798 | AlogP: -1.12 | #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: 11.43 | CX Basic pKa: | CX LogP: -1.61 | CX LogD: -1.61 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.59 | Np Likeness Score: -0.44 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):