| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4435325
Max Phase: Preclinical
Molecular Formula: C15H11N3O3S2
Molecular Weight: 345.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CSC(=O)N1Cc1ccc(Sc2nc3ccccc3[nH]2)o1
Standard InChI: InChI=1S/C15H11N3O3S2/c19-12-8-22-15(20)18(12)7-9-5-6-13(21-9)23-14-16-10-3-1-2-4-11(10)17-14/h1-6H,7-8H2,(H,16,17)
Standard InChI Key: QXLZMRCNTHGEAR-UHFFFAOYSA-N
Associated Targets(Human)
NCI-H1975 4994 Activities
NAMALVA 207 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Myc proto-oncogene protein 1178 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: Unknown | 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 |
|---|
Properties
| Molecular Weight: 345.41 | Molecular Weight (Monoisotopic): 345.0242 | AlogP: 3.50 | #Rotatable Bonds: 4 |
| Polar Surface Area: 79.20 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.81 | CX Basic pKa: 3.71 | CX LogP: 2.98 | CX LogD: 2.98 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.78 | Np Likeness Score: -1.93 |
References
| 1. (2018) Myc modulators and uses thereof, |
Source
Source(1):