| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4580022
Max Phase: Preclinical
Molecular Formula: C17H17F4N5O2
Molecular Weight: 399.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CC(O)(C(F)(F)F)c2c(C3CCN(c4ccc(F)cn4)CC3)n[nH]c2N1
Standard InChI: InChI=1S/C17H17F4N5O2/c18-10-1-2-11(22-8-10)26-5-3-9(4-6-26)14-13-15(25-24-14)23-12(27)7-16(13,28)17(19,20)21/h1-2,8-9,28H,3-7H2,(H2,23,24,25,27)
Standard InChI Key: GVQQKNXHVNOAMN-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: 399.35 | Molecular Weight (Monoisotopic): 399.1318 | AlogP: 2.42 | #Rotatable Bonds: 2 |
| Polar Surface Area: 94.14 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.92 | CX Basic pKa: 3.68 | CX LogP: 1.74 | CX LogD: 1.74 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.67 | Np Likeness Score: -1.25 |
References
| 1. (2016) Piperidinylpyrazolopyridine derivatives, |
Source
Source(1):