| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3929647
Max Phase: Preclinical
Molecular Formula: C24H27N9O
Molecular Weight: 457.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(-c2cncc(N)n2)nc(Nc2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12
Standard InChI: InChI=1S/C24H27N9O/c1-16-22(20-12-26-13-21(25)29-20)30-23(24-27-6-7-33(16)24)28-17-2-4-18(5-3-17)31-8-10-32(11-9-31)19-14-34-15-19/h2-7,12-13,19H,8-11,14-15H2,1H3,(H2,25,29)(H,28,30)
Standard InChI Key: WFQLDXGNAYZMLS-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 |
|---|
Properties
| Molecular Weight: 457.54 | Molecular Weight (Monoisotopic): 457.2339 | AlogP: 2.34 | #Rotatable Bonds: 5 |
| Polar Surface Area: 109.73 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.30 | CX LogP: 1.32 | CX LogD: 1.29 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.47 | Np Likeness Score: -1.15 |
References
| 1. (2016) Substituted imidazo[1,2-a]pyrazines as Syk inhibitors, |
Source
Source(1):