| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3911668
Max Phase: Preclinical
Molecular Formula: C26H31N9O3
Molecular Weight: 517.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)nc1N
Standard InChI: InChI=1S/C26H31N9O3/c1-17-24(27)31-20(13-29-17)21-14-35-5-4-28-26(35)25(32-21)30-18-2-3-22(23(12-18)38-11-10-36)34-8-6-33(7-9-34)19-15-37-16-19/h2-5,12-14,19,36H,6-11,15-16H2,1H3,(H2,27,31)(H,30,32)
Standard InChI Key: LFSWUEFCKBOGCG-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 |
|---|
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: 517.59 | Molecular Weight (Monoisotopic): 517.2550 | AlogP: 1.71 | #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: 0.41 | CX LogD: 0.39 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.31 | Np Likeness Score: -1.13 |
References
| 1. (2016) Substituted imidazo[1,2-a]pyrazines as Syk inhibitors, |
Source
Source(1):