| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4446874
Max Phase: Preclinical
Molecular Formula: C17H16F3N7O2
Molecular Weight: 407.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1cnc(N2CCC(c3n[nH]c4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)cn1
Standard InChI: InChI=1S/C17H16F3N7O2/c18-17(19,20)12-11-13(25-26-15(11)24-16(29)14(12)28)8-1-3-27(4-2-8)10-7-22-9(5-21)6-23-10/h6-8,12,14,28H,1-4H2,(H2,24,25,26,29)/t12-,14-/m1/s1
Standard InChI Key: VZEZQYJRNLIIEN-TZMCWYRMSA-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: 407.36 | Molecular Weight (Monoisotopic): 407.1318 | AlogP: 1.41 | #Rotatable Bonds: 2 |
| Polar Surface Area: 130.82 | 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: 2.84 | CX LogP: 0.66 | CX LogD: 0.66 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.69 | Np Likeness Score: -1.10 |
References
| 1. (2017) 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative, |
Source
Source(1):