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ID: ALA3191451
Max Phase: Preclinical
Molecular Formula: C11H14Cl2N4O
Molecular Weight: 289.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(/C=N\NC(=O)C2(C)CC2(Cl)Cl)cnn1C
Standard InChI: InChI=1S/C11H14Cl2N4O/c1-7-8(5-15-17(7)3)4-14-16-9(18)10(2)6-11(10,12)13/h4-5H,6H2,1-3H3,(H,16,18)/b14-4-
Standard InChI Key: TVIPPAZEJJTCIJ-CPSFFCFKSA-N
Associated Targets(Human)
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
DNA polymerase iota 116820 Activities
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Glucagon-like peptide 1 receptor 111429 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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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: 289.17 | Molecular Weight (Monoisotopic): 288.0545 | AlogP: 1.76 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.28 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.75 | CX Basic pKa: 2.17 | CX LogP: 1.81 | CX LogD: 1.81 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.52 | Np Likeness Score: -1.70 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):