| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286792
Max Phase: Preclinical
Molecular Formula: C26H22F3N3
Molecular Weight: 433.48
Associated Items:
Representations
Canonical SMILES: NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(F)c4)cc23)CC1
Standard InChI: InChI=1S/C26H22F3N3/c27-19-3-1-2-16(10-19)17-4-5-25-23(13-17)26(32-8-6-22(30)7-9-32)24(15-31-25)18-11-20(28)14-21(29)12-18/h1-5,10-15,22H,6-9,30H2
Standard InChI Key: WTSLYGWSJGGKHF-UHFFFAOYSA-N
Associated Targets(Human)
Somatostatin receptor 2 1526 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 433.48 | Molecular Weight (Monoisotopic): 433.1766 | AlogP: 5.91 | #Rotatable Bonds: 3 |
| Polar Surface Area: 42.15 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.03 | CX LogP: 5.17 | CX LogD: 2.31 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.44 | Np Likeness Score: -0.89 |
References
| 1. Zhao J, Wang S, Markison S, Kim SH, Han S, Chen M, Kusnetzow AK, Rico-Bautista E, Johns M, Luo R, Struthers RS, Madan A, Zhu Y, Betz SF.. (2023) Discovery of Paltusotine (CRN00808), a Potent, Selective, and Orally Bioavailable Non-peptide SST2 Agonist., 14 (1.0): [PMID:36655128] [10.1021/acsmedchemlett.2c00431] |
Source
Source(1):