| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4539903
Max Phase: Preclinical
Molecular Formula: C24H26F6N6O3
Molecular Weight: 560.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1Nc2[nH]nc(C3CCN(c4cc(C(=O)N5CCCCC5)c(C(F)(F)F)cn4)CC3)c2[C@@H](C(F)(F)F)[C@H]1O
Standard InChI: InChI=1S/C24H26F6N6O3/c25-23(26,27)14-11-31-15(10-13(14)22(39)36-6-2-1-3-7-36)35-8-4-12(5-9-35)18-16-17(24(28,29)30)19(37)21(38)32-20(16)34-33-18/h10-12,17,19,37H,1-9H2,(H2,32,33,34,38)/t17-,19-/m1/s1
Standard InChI Key: UIQYRRRJGRKPAM-IEBWSBKVSA-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: 560.50 | Molecular Weight (Monoisotopic): 560.1971 | AlogP: 3.79 | #Rotatable Bonds: 3 |
| Polar Surface Area: 114.45 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.04 | CX Basic pKa: 4.70 | CX LogP: 2.58 | CX LogD: 2.58 |
| Aromatic Rings: 2 | Heavy Atoms: 39 | QED Weighted: 0.49 | Np Likeness Score: -1.10 |
References
| 1. (2017) 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative, |
Source
Source(1):