| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4764496
Max Phase: Preclinical
Molecular Formula: C19H20F3N5
Molecular Weight: 375.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3cc(F)c(F)cc32)nc1
Standard InChI: InChI=1S/C19H20F3N5/c1-11-2-3-12(24-8-11)9-27-18-7-15(22)14(21)6-17(18)25-19(27)26-5-4-13(20)16(23)10-26/h2-3,6-8,13,16H,4-5,9-10,23H2,1H3/t13-,16-/m1/s1
Standard InChI Key: XQBAPJWYRODRGP-CZUORRHYSA-N
Associated Targets(Human)
Short transient receptor potential channel 6 65 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: 375.40 | Molecular Weight (Monoisotopic): 375.1671 | AlogP: 2.94 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.97 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.64 | CX LogP: 3.07 | CX LogD: 1.81 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.76 | Np Likeness Score: -1.54 |
References
| 1. Sabnis RW. (2021) Novel Benzimidazole Derivatives as Transient Receptor Potential Channel 6 (TRPC6) Inhibitors., 12 (3.0): [PMID:33738049] [10.1021/acsmedchemlett.1c00056] |
Source
Source(1):