| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4567833
Max Phase: Preclinical
Molecular Formula: C18H17F6N5O3
Molecular Weight: 465.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1Nc2[nH]nc(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2C(O)(C(F)(F)F)C1O
Standard InChI: InChI=1S/C18H17F6N5O3/c19-17(20,21)9-1-2-10(25-7-9)29-5-3-8(4-6-29)12-11-14(28-27-12)26-15(31)13(30)16(11,32)18(22,23)24/h1-2,7-8,13,30,32H,3-6H2,(H2,26,27,28,31)
Standard InChI Key: YJDSLORMPLJFPY-UHFFFAOYSA-N
Associated Targets(Human)
Phosphatidylcholine-sterol acyltransferase 155 Activities
Associated Targets(non-human)
Cynomolgus monkey 4946 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 465.35 | Molecular Weight (Monoisotopic): 465.1236 | AlogP: 2.27 | #Rotatable Bonds: 2 |
| Polar Surface Area: 114.37 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.86 | CX Basic pKa: 5.27 | CX LogP: 1.76 | CX LogD: 1.74 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.51 | Np Likeness Score: -1.06 |
References
| 1. (2017) 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative, |
| 2. (2017) 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative, |
Source
Source(1):