| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286553
Max Phase: Preclinical
Molecular Formula: C23H21ClN6O
Molecular Weight: 432.92
Associated Items:
Representations
Canonical SMILES: O=C(c1ccc(-n2nnc3ccccc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
Standard InChI: InChI=1S/C23H21ClN6O/c24-19-6-4-14-26-22(19)29(18-5-3-13-25-15-18)23(31)16-9-11-17(12-10-16)30-21-8-2-1-7-20(21)27-28-30/h1-2,4,6-12,14,18,25H,3,5,13,15H2/t18-/m1/s1
Standard InChI Key: QZKXSJDZZRUOAK-GOSISDBHSA-N
Associated Targets(Human)
Subtilisin/kexin type 9 362 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: 432.92 | Molecular Weight (Monoisotopic): 432.1465 | AlogP: 3.87 | #Rotatable Bonds: 4 |
| Polar Surface Area: 75.94 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.06 | CX LogP: 4.12 | CX LogD: 2.46 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.53 | Np Likeness Score: -1.74 |
References
| 1. Fan A, Sharp PP.. (2021) Inhibitors of Eukaryotic Translational Machinery as Therapeutic Agents., 64 (5.0): [PMID:33592144] [10.1021/acs.jmedchem.0c01746] |
Source
Source(1):