| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4448781
Max Phase: Preclinical
Molecular Formula: C19H19F3N6O2
Molecular Weight: 420.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(N2CCC(c3n[nH]c4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)cnc1C#N
Standard InChI: InChI=1S/C19H19F3N6O2/c1-9-6-11(8-24-12(9)7-23)28-4-2-10(3-5-28)15-13-14(19(20,21)22)16(29)18(30)25-17(13)27-26-15/h6,8,10,14,16,29H,2-5H2,1H3,(H2,25,26,27,30)/t14-,16-/m1/s1
Standard InChI Key: YSWOTFYQFSBFNX-GDBMZVCRSA-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: 420.40 | Molecular Weight (Monoisotopic): 420.1522 | AlogP: 2.33 | #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: 11.04 | CX Basic pKa: 2.87 | CX LogP: 1.77 | CX LogD: 1.77 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.69 | Np Likeness Score: -1.10 |
References
| 1. (2017) 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative, |
Source
Source(1):