| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4081227
Max Phase: Preclinical
Molecular Formula: C15H10N4S
Molecular Weight: 278.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1cc(-c2cnn3cc(-c4ccsc4)cnc23)ccn1
Standard InChI: InChI=1S/C15H10N4S/c1-4-16-5-2-11(1)14-8-18-19-9-13(7-17-15(14)19)12-3-6-20-10-12/h1-10H
Standard InChI Key: GUONLYWBWBAHAB-UHFFFAOYSA-N
Associated Targets(Human)
Vascular endothelial growth factor receptor 2 20924 Activities
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) 29 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 278.34 | Molecular Weight (Monoisotopic): 278.0626 | AlogP: 3.52 | #Rotatable Bonds: 2 |
| Polar Surface Area: 43.08 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.97 | CX LogP: 2.51 | CX LogD: 2.51 |
| Aromatic Rings: 4 | Heavy Atoms: 20 | QED Weighted: 0.56 | Np Likeness Score: -2.20 |
References
| 1. Cherukupalli S, Karpoormath R, Chandrasekaran B, Hampannavar GA, Thapliyal N, Palakollu VN.. (2017) An insight on synthetic and medicinal aspects of pyrazolo[1,5-a]pyrimidine scaffold., 126 [PMID:27894044] [10.1016/j.ejmech.2016.11.019] |
Source
Source(1):