| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3213619
Max Phase: Preclinical
Molecular Formula: C26H18N6O3S
Molecular Weight: 494.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12
Standard InChI: InChI=1S/C26H18N6O3S/c27-22-21-20(17-7-3-1-4-8-17)23(18-9-5-2-6-10-18)29-31-26(21)36-24(22)25(33)30-28-15-16-11-13-19(14-12-16)32(34)35/h1-15H,27H2,(H,30,33)/b28-15+
Standard InChI Key: ALEDPXXPMMOBHE-RWPZCVJISA-N
Associated Targets(Human)
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
DNA polymerase eta 21678 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: 494.54 | Molecular Weight (Monoisotopic): 494.1161 | AlogP: 5.28 | #Rotatable Bonds: 6 |
| Polar Surface Area: 136.40 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.24 | CX Basic pKa: 1.34 | CX LogP: 5.58 | CX LogD: 5.58 |
| Aromatic Rings: 5 | Heavy Atoms: 36 | QED Weighted: 0.19 | Np Likeness Score: -1.63 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):