ID: ALA2371421
Chembl Id: CHEMBL2371421
Cas Number: 78058-02-3
PubChem CID: 132489
Max Phase: Preclinical
Molecular Formula: C15H24N4O4
Molecular Weight: 324.38
Molecule Type: Protein
Associated Items:
Canonical SMILES: CCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
Standard InChI: InChI=1S/C15H24N4O4/c1-2-4-10(18-14(22)9-6-7-12(20)17-9)15(23)19-8-3-5-11(19)13(16)21/h9-11H,2-8H2,1H3,(H2,16,21)(H,17,20)(H,18,22)/t9-,10-,11-/m0/s1
Standard InChI Key: YWZAPMXAANPWLC-DCAQKATOSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 324.38 | Molecular Weight (Monoisotopic): 324.1798 | AlogP: -0.97 | #Rotatable Bonds: 6 |
| Polar Surface Area: 121.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 11.44 | CX Basic pKa: ┄ | CX LogP: -1.53 | CX LogD: -1.53 |
| Aromatic Rings: ┄ | Heavy Atoms: 23 | QED Weighted: 0.58 | Np Likeness Score: -0.46 |
| 1. Szirtes T, Kisfaludy L, Pálosi E, Szporny L.. (1984) Synthesis of thyrotropin-releasing hormone analogues. 1. Complete dissociation of central nervous system effects from thyrotropin-releasing activity., 27 (6): [PMID:6429332] [10.1021/jm00372a006] |
| 2. (2010) TRH-like peptide derivatives as inhibitors of the TRH-degrading ectoenzyme, |
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