| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4592849
Max Phase: Preclinical
Molecular Formula: C19H15ClFN3O
Molecular Weight: 355.80
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Fc1ccc(Cn2c(NCc3ccco3)nc3ccccc32)c(Cl)c1
Standard InChI: InChI=1S/C19H15ClFN3O/c20-16-10-14(21)8-7-13(16)12-24-18-6-2-1-5-17(18)23-19(24)22-11-15-4-3-9-25-15/h1-10H,11-12H2,(H,22,23)
Standard InChI Key: VQKYBMCPIGAVLE-UHFFFAOYSA-N
Associated Targets(non-human)
Short transient receptor potential channel 5 64 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: 355.80 | Molecular Weight (Monoisotopic): 355.0888 | AlogP: 5.08 | #Rotatable Bonds: 5 |
| Polar Surface Area: 42.99 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.42 | CX LogP: 4.90 | CX LogD: 4.85 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.54 | Np Likeness Score: -2.22 |
References
| 1. Sharma SH, Pablo JL, Montesinos MS, Greka A, Hopkins CR.. (2019) Design, synthesis and characterization of novel N-heterocyclic-1-benzyl-1H-benzo[d]imidazole-2-amines as selective TRPC5 inhibitors leading to the identification of the selective compound, AC1903., 29 (2): [PMID:30538066] [10.1016/j.bmcl.2018.12.007] |
Source
Source(1):