| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3941076
Max Phase: Preclinical
Molecular Formula: C15H22N4O4
Molecular Weight: 322.37
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1
Standard InChI: InChI=1S/C15H22N4O4/c16-13(21)10-3-1-7-18(10)15(23)11-4-2-8-19(11)14(22)9-5-6-12(20)17-9/h9-11H,1-8H2,(H2,16,21)(H,17,20)/t9-,10-,11-/m0/s1
Standard InChI Key: HNEABOKGLREENG-DCAQKATOSA-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: 322.37 | Molecular Weight (Monoisotopic): 322.1641 | AlogP: -1.27 | #Rotatable Bonds: 3 |
| Polar Surface Area: 112.81 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.38 | CX Basic pKa: | CX LogP: -2.22 | CX LogD: -2.22 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.67 | Np Likeness Score: -0.51 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):