| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3208731
Max Phase: Preclinical
Molecular Formula: C12H13N3O
Molecular Weight: 215.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(/C=N\O)c(C)n1-c1ccncc1
Standard InChI: InChI=1S/C12H13N3O/c1-9-7-11(8-14-16)10(2)15(9)12-3-5-13-6-4-12/h3-8,16H,1-2H3/b14-8-
Standard InChI Key: GKDAFYOBVMSVCO-ZSOIEALJSA-N
Associated Targets(Human)
DNA polymerase eta 21678 Activities
Glutaminase kidney isoform, mitochondrial 16997 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: 215.26 | Molecular Weight (Monoisotopic): 215.1059 | AlogP: 2.30 | #Rotatable Bonds: 2 |
| Polar Surface Area: 50.41 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.10 | CX Basic pKa: 7.63 | CX LogP: 1.84 | CX LogD: 1.48 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.47 | Np Likeness Score: -1.92 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):