| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2377167
Max Phase: Preclinical
Molecular Formula: C14H11N3O2S
Molecular Weight: 285.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(-c2ccccc2)c(S)c1C(=O)c1ccno1
Standard InChI: InChI=1S/C14H11N3O2S/c1-9-12(13(18)11-7-8-15-19-11)14(20)17(16-9)10-5-3-2-4-6-10/h2-8,20H,1H3
Standard InChI Key: AZSNZHGERBFBJT-UHFFFAOYSA-N
Associated Targets(Human)
High affinity immunoglobulin gamma Fc receptor I 24 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 285.33 | Molecular Weight (Monoisotopic): 285.0572 | AlogP: 2.69 | #Rotatable Bonds: 3 |
| Polar Surface Area: 60.92 | Molecular Species: ACID | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.29 | CX Basic pKa: 1.63 | CX LogP: 2.12 | CX LogD: 0.77 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.59 | Np Likeness Score: -1.69 |
References
| 1. Purohit MK, Scovell I, Neschadim A, Katsman Y, Branch DR, Kotra LP.. (2013) Disulfide linked pyrazole derivatives inhibit phagocytosis of opsonized blood cells., 23 (8): [PMID:23489619] [10.1016/j.bmcl.2013.02.064] |
Source
Source(1):