| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4756125
Max Phase: Preclinical
Molecular Formula: C17H12Cl2FN5O2
Molecular Weight: 408.22
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccc(F)cc3Cl)C2)c1Cl
Standard InChI: InChI=1S/C17H12Cl2FN5O2/c18-11-5-9(20)1-2-14(11)27-17-10-3-4-25(7-12(10)21-8-22-17)13-6-23-24-16(26)15(13)19/h1-2,5-6,8H,3-4,7H2,(H,24,26)
Standard InChI Key: DDIQWIYEKODANH-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: 408.22 | Molecular Weight (Monoisotopic): 407.0352 | AlogP: 3.36 | #Rotatable Bonds: 3 |
| 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: 2.03 | CX LogP: 2.80 | CX LogD: 2.79 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.72 | Np Likeness Score: -1.73 |
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):