| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4573330
Max Phase: Preclinical
Molecular Formula: C18H17F3N6O2
Molecular Weight: 406.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1cccnc1N1CCC(c2n[nH]c3c2C(O)(C(F)(F)F)CC(=O)N3)CC1
Standard InChI: InChI=1S/C18H17F3N6O2/c19-18(20,21)17(29)8-12(28)24-15-13(17)14(25-26-15)10-3-6-27(7-4-10)16-11(9-22)2-1-5-23-16/h1-2,5,10,29H,3-4,6-8H2,(H2,24,25,26,28)
Standard InChI Key: JICJSBDAGMIPEX-UHFFFAOYSA-N
Associated Targets(Human)
Phosphatidylcholine-sterol acyltransferase 155 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: 406.37 | Molecular Weight (Monoisotopic): 406.1365 | AlogP: 2.15 | #Rotatable Bonds: 2 |
| Polar Surface Area: 117.93 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.92 | CX Basic pKa: 3.08 | CX LogP: 1.46 | CX LogD: 1.45 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.70 | Np Likeness Score: -1.20 |
References
| 1. (2016) Piperidinylpyrazolopyridine derivatives, |
Source
Source(1):