| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3967632
Max Phase: Preclinical
Molecular Formula: C17H17FN4O2S
Molecular Weight: 360.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cnc(NC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)s1
Standard InChI: InChI=1S/C17H17FN4O2S/c1-10-9-19-16(25-10)20-17(23)22-6-4-11(5-7-22)15-13-8-12(18)2-3-14(13)24-21-15/h2-3,8-9,11H,4-7H2,1H3,(H,19,20,23)
Standard InChI Key: DGRFZOOMJAHGQS-UHFFFAOYSA-N
Associated Targets(non-human)
Acyl-CoA desaturase 1 506 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 360.41 | Molecular Weight (Monoisotopic): 360.1056 | AlogP: 4.14 | #Rotatable Bonds: 2 |
| Polar Surface Area: 71.26 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.88 | CX Basic pKa: 0.43 | CX LogP: 3.24 | CX LogD: 3.12 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.75 | Np Likeness Score: -2.34 |
References
| 1. (2016) Substituted piperidinyl-carboxamide derivatives useful as SCD 1 inhibitors, |
Source
Source(1):