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ID: ALA3981576
Max Phase: Preclinical
Molecular Formula: C20H19N5O2
Molecular Weight: 361.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1OC
Standard InChI: InChI=1S/C20H19N5O2/c1-26-17-7-6-15(11-18(17)27-2)23-19-20-22-8-9-25(20)12-16(24-19)13-4-3-5-14(21)10-13/h3-12H,21H2,1-2H3,(H,23,24)
Standard InChI Key: YWXFWBFYSNQVQH-UHFFFAOYSA-N
Associated Targets(Human)
CD63 Tchem CD63 antigen (12 Activities)
SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)
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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 |
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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: 361.41 | Molecular Weight (Monoisotopic): 361.1539 | AlogP: 3.74 | #Rotatable Bonds: 5 |
| Polar Surface Area: 86.70 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.97 | CX LogP: 2.47 | CX LogD: 2.46 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.53 | Np Likeness Score: -1.39 |
References
| 1. (2016) Substituted imidazo[1,2-a]pyrazines as Syk inhibitors, |
Source
Source(1):