| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3902654
Max Phase: Preclinical
Molecular Formula: C25H29N9O3
Molecular Weight: 503.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)n1
Standard InChI: InChI=1S/C25H29N9O3/c26-23-13-27-12-19(30-23)20-14-34-4-3-28-25(34)24(31-20)29-17-1-2-21(22(11-17)37-10-9-35)33-7-5-32(6-8-33)18-15-36-16-18/h1-4,11-14,18,35H,5-10,15-16H2,(H2,26,30)(H,29,31)
Standard InChI Key: RWEICHZKRDIUMB-UHFFFAOYSA-N
Associated Targets(Human)
CD63 Tchem CD63 antigen (12 Activities)
SYK Tclin Tyrosine-protein kinase SYK (7372 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 |
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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: 503.57 | Molecular Weight (Monoisotopic): 503.2393 | AlogP: 1.40 | #Rotatable Bonds: 8 |
| Polar Surface Area: 139.19 | Molecular Species: NEUTRAL | HBA: 12 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 12 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 5.89 | CX LogP: 0.27 | CX LogD: 0.26 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.32 | Np Likeness Score: -1.08 |
References
| 1. (2016) Substituted imidazo[1,2-a]pyrazines as Syk inhibitors, |
Source
Source(1):