ID: ALA5185768
Chembl Id: CHEMBL5185768
PubChem CID: 15656109
Max Phase: Preclinical
Molecular Formula: C10H10N2
Molecular Weight: 158.20
Associated Items:
Canonical SMILES: Cc1cncn1-c1ccccc1
Standard InChI: InChI=1S/C10H10N2/c1-9-7-11-8-12(9)10-5-3-2-4-6-10/h2-8H,1H3
Standard InChI Key: WTWDYIRAELZONQ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 158.20 | Molecular Weight (Monoisotopic): 158.0844 | AlogP: 2.18 | #Rotatable Bonds: 1 |
| Polar Surface Area: 17.82 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 6.62 | CX LogP: 1.94 | CX LogD: 1.89 |
| Aromatic Rings: 2 | Heavy Atoms: 12 | QED Weighted: 0.62 | Np Likeness Score: -1.46 |
| 1. Park E, Song KH, Kim D, Lee M, Van Manh N, Kim H, Hong KB, Lee J, Song JY, Kang S.. (2022) 2-Amino-1,3,4-thiadiazoles as Glutaminyl Cyclases Inhibitors Increase Phagocytosis through Modification of CD47-SIRPα Checkpoint., 13 (9.0): [PMID:36105338] [10.1021/acsmedchemlett.2c00256] |
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