ID: ALA1806687
Chembl Id: CHEMBL1806687
PubChem CID: 56673919
Max Phase: Preclinical
Molecular Formula: C13H15N5
Molecular Weight: 241.30
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1cc(C)n2nc(-n3nc(C)cc3C)cc2n1
Standard InChI: InChI=1S/C13H15N5/c1-8-5-10(3)17-12(14-8)7-13(16-17)18-11(4)6-9(2)15-18/h5-7H,1-4H3
Standard InChI Key: BJFZJSOSNBCIEB-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 241.30 | Molecular Weight (Monoisotopic): 241.1327 | AlogP: 2.15 | #Rotatable Bonds: 1 |
| Polar Surface Area: 48.01 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.63 | CX LogP: 2.00 | CX LogD: 2.00 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.66 | Np Likeness Score: -2.40 |
| 1. Aggarwal R, Sumran G, Garg N, Aggarwal A.. (2011) A regioselective synthesis of some new pyrazol-1'-ylpyrazolo[1,5-a]pyrimidines in aqueous medium and their evaluation as antimicrobial agents., 46 (7): [PMID:21558044] [10.1016/j.ejmech.2011.04.041] |
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