| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5179629
Max Phase: Preclinical
Molecular Formula: C18H17ClFNO2
Molecular Weight: 333.79
Associated Items:
Representations
Canonical SMILES: CN(C(=O)/C=C/c1ccc(Cl)cc1)c1cccc(OCCF)c1
Standard InChI: InChI=1S/C18H17ClFNO2/c1-21(16-3-2-4-17(13-16)23-12-11-20)18(22)10-7-14-5-8-15(19)9-6-14/h2-10,13H,11-12H2,1H3/b10-7+
Standard InChI Key: MJMROJSTKPRDLD-JXMROGBWSA-N
Associated Targets(non-human)
Vanilloid receptor 3290 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: 333.79 | Molecular Weight (Monoisotopic): 333.0932 | AlogP: 4.36 | #Rotatable Bonds: 6 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.08 | CX LogD: 4.08 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.73 | Np Likeness Score: -1.31 |
References
| 1. Kida T, Takahashi N, Mori MX, Sun JH, Oota H, Nishino K, Okauchi T, Ochi Y, Kano D, Tateishi U, Watanabe Y, Cui Y, Mori Y, Doi H.. (2022) N-Methylamide-structured SB366791 derivatives with high TRPV1 antagonistic activity: toward PET radiotracers to visualize TRPV1., 13 (10.0): [PMID:36325399] [10.1039/d2md00158f] |
Source
Source(1):