| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4567145
Max Phase: Preclinical
Molecular Formula: C19H23F3N6O3
Molecular Weight: 440.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1ccc(N2CCC(c3n[nH]c4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)nn1
Standard InChI: InChI=1S/C19H23F3N6O3/c1-9(2)31-12-4-3-11(24-25-12)28-7-5-10(6-8-28)15-13-14(19(20,21)22)16(29)18(30)23-17(13)27-26-15/h3-4,9-10,14,16,29H,5-8H2,1-2H3,(H2,23,26,27,30)/t14-,16-/m1/s1
Standard InChI Key: SKGLCRIQVMIEEM-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: 440.43 | Molecular Weight (Monoisotopic): 440.1784 | AlogP: 2.33 | #Rotatable Bonds: 4 |
| Polar Surface Area: 116.26 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.04 | CX Basic pKa: 3.07 | CX LogP: 1.71 | CX LogD: 1.71 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.67 | Np Likeness Score: -1.30 |
References
| 1. (2017) 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative, |
Source
Source(1):