| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5188412
Max Phase: Preclinical
Molecular Formula: C17H16ClNO2
Molecular Weight: 301.77
Associated Items:
Representations
Canonical SMILES: COc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)cc2)c1
Standard InChI: InChI=1S/C17H16ClNO2/c1-19(15-4-3-5-16(12-15)21-2)17(20)11-8-13-6-9-14(18)10-7-13/h3-12H,1-2H3/b11-8+
Standard InChI Key: RNFPBRHMGNSMCT-DHZHZOJOSA-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: 301.77 | Molecular Weight (Monoisotopic): 301.0870 | AlogP: 4.02 | #Rotatable Bonds: 4 |
| 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: 3.88 | CX LogD: 3.88 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: -1.15 |
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):