| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3949875
Max Phase: Preclinical
Molecular Formula: C16H27N5O4
Molecular Weight: 353.42
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
Standard InChI: InChI=1S/C16H27N5O4/c17-8-2-1-4-11(20-15(24)10-6-7-13(22)19-10)16(25)21-9-3-5-12(21)14(18)23/h10-12H,1-9,17H2,(H2,18,23)(H,19,22)(H,20,24)/t10-,11-,12-/m0/s1
Standard InChI Key: TXOZOKVIYFOVBE-SRVKXCTJSA-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: 353.42 | Molecular Weight (Monoisotopic): 353.2063 | AlogP: -1.64 | #Rotatable Bonds: 8 |
| Polar Surface Area: 147.62 | Molecular Species: BASE | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.49 | CX Basic pKa: 10.17 | CX LogP: -2.81 | CX LogD: -5.23 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.39 | Np Likeness Score: -0.14 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):