| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3979818
Max Phase: Preclinical
Molecular Formula: C14H20N4O6
Molecular Weight: 340.34
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCC(=O)N1
Standard InChI: InChI=1S/C14H20N4O6/c15-12(22)9-2-1-5-18(9)14(24)8(6-11(20)21)17-13(23)7-3-4-10(19)16-7/h7-9H,1-6H2,(H2,15,22)(H,16,19)(H,17,23)(H,20,21)/t7-,8-,9-/m0/s1
Standard InChI Key: VCXJBPVMIZJBFN-CIUDSAMLSA-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: 340.34 | Molecular Weight (Monoisotopic): 340.1383 | AlogP: -2.30 | #Rotatable Bonds: 6 |
| Polar Surface Area: 158.90 | Molecular Species: ACID | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.09 | CX Basic pKa: | CX LogP: -3.14 | CX LogD: -6.24 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.43 | Np Likeness Score: -0.20 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):