| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2001378
Max Phase: Preclinical
Molecular Formula: C9H9N5
Molecular Weight: 187.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1nnc(-c2ccccc2)c(N)n1
Standard InChI: InChI=1S/C9H9N5/c10-8-7(13-14-9(11)12-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,14)
Standard InChI Key: IGICDOGCTIXJCD-UHFFFAOYSA-N
Associated Targets(Human)
Casein kinase I alpha 2581 Activities
Dual specificity protein kinase CLK4 4053 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: 187.21 | Molecular Weight (Monoisotopic): 187.0858 | AlogP: 0.70 | #Rotatable Bonds: 1 |
| Polar Surface Area: 90.71 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.08 | CX LogP: 0.72 | CX LogD: 0.70 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.69 | Np Likeness Score: -0.81 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):