| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3940595
Max Phase: Preclinical
Molecular Formula: C12H18N4O4
Molecular Weight: 282.30
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1
Standard InChI: InChI=1S/C12H18N4O4/c13-11(19)8-2-1-5-16(8)10(18)6-14-12(20)7-3-4-9(17)15-7/h7-8H,1-6H2,(H2,13,19)(H,14,20)(H,15,17)/t7-,8-/m0/s1
Standard InChI Key: XKFFWWWMHGXEPW-YUMQZZPRSA-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: 282.30 | Molecular Weight (Monoisotopic): 282.1328 | AlogP: -2.14 | #Rotatable Bonds: 4 |
| 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: 11.28 | CX Basic pKa: | CX LogP: -3.07 | CX LogD: -3.07 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.54 | Np Likeness Score: -1.06 |
References
| 1. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
Source
Source(1):