| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4741465
Max Phase: Preclinical
Molecular Formula: C20H17ClF4N6O2
Molecular Weight: 484.84
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=c1[nH]ncc(N2CCc3c(ncnc3N(CCO)c3ccc(F)cc3C(F)(F)F)C2)c1Cl
Standard InChI: InChI=1S/C20H17ClF4N6O2/c21-17-16(8-28-29-19(17)33)30-4-3-12-14(9-30)26-10-27-18(12)31(5-6-32)15-2-1-11(22)7-13(15)20(23,24)25/h1-2,7-8,10,32H,3-6,9H2,(H,29,33)
Standard InChI Key: LZRQJWKYBJTRGG-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: 484.84 | Molecular Weight (Monoisotopic): 484.1038 | AlogP: 3.06 | #Rotatable Bonds: 5 |
| Polar Surface Area: 98.24 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.04 | CX Basic pKa: 3.97 | CX LogP: 2.55 | CX LogD: 2.54 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.54 | Np Likeness Score: -1.53 |
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):