| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4786096
Max Phase: Preclinical
Molecular Formula: C19H17ClFN5O2
Molecular Weight: 401.83
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCc1c(F)cccc1Oc1ncnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
Standard InChI: InChI=1S/C19H17ClFN5O2/c1-2-11-13(21)4-3-5-16(11)28-19-12-6-7-26(9-14(12)22-10-23-19)15-8-24-25-18(27)17(15)20/h3-5,8,10H,2,6-7,9H2,1H3,(H,25,27)
Standard InChI Key: YRQNOZJAVUWWJH-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: 401.83 | Molecular Weight (Monoisotopic): 401.1055 | AlogP: 3.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.00 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.04 | CX Basic pKa: 2.06 | CX LogP: 3.16 | CX LogD: 3.15 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.72 | Np Likeness Score: -1.57 |
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):