| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4764636
Max Phase: Preclinical
Molecular Formula: C18H15ClF3N7O
Molecular Weight: 437.81
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(c1cnccc1C(F)(F)F)c1ncnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
Standard InChI: InChI=1S/C18H15ClF3N7O/c1-28(13-6-23-4-2-11(13)18(20,21)22)16-10-3-5-29(8-12(10)24-9-25-16)14-7-26-27-17(30)15(14)19/h2,4,6-7,9H,3,5,8H2,1H3,(H,27,30)
Standard InChI Key: INLQJRUVWZVKQZ-UHFFFAOYSA-N
Associated Targets(Human)
Short transient receptor potential channel 5 300 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 437.81 | Molecular Weight (Monoisotopic): 437.0979 | AlogP: 2.96 | #Rotatable Bonds: 3 |
| Polar Surface Area: 90.90 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.04 | CX Basic pKa: 5.03 | CX LogP: 1.88 | CX LogD: 1.87 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.67 | Np Likeness Score: -1.45 |
References
| 1. Sabnis RW. (2021) Novel Pyridazinones as TRPC5 Inhibitors for Treating Kidney Diseases., 12 (4.0): [PMID:33859787] [10.1021/acsmedchemlett.1c00123] |
Source
Source(1):