| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266816
Max Phase: Preclinical
Molecular Formula: C25H25ClFNO5S
Molecular Weight: 470.54
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(c1)CCN1Cc3c(ccc(OC)c3OS(=O)(=O)c3cccc(F)c3)C[C@H]21.Cl
Standard InChI: InChI=1S/C25H24FNO5S.ClH/c1-30-19-7-8-21-17(12-19)10-11-27-15-22-16(13-23(21)27)6-9-24(31-2)25(22)32-33(28,29)20-5-3-4-18(26)14-20;/h3-9,12,14,23H,10-11,13,15H2,1-2H3;1H/t23-;/m1./s1
Standard InChI Key: HSLFFDPMPIXWSJ-GNAFDRTKSA-N
Associated Targets(Human)
Homo sapiens 32628 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 470.54 | Molecular Weight (Monoisotopic): 470.1432 | AlogP: 2.85 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.27 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.93 | CX LogP: 4.82 | CX LogD: 4.82 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.58 | Np Likeness Score: -0.45 |
References
| 1. Ahamad S, Bhat SA.. (2022) Recent Update on the Development of PCSK9 Inhibitors for Hypercholesterolemia Treatment., 65 (23.0): [PMID:36446632] [10.1021/acs.jmedchem.2c01290] |
Source
Source(1):