| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3222133
Max Phase: Preclinical
Molecular Formula: C19H24N2OS2
Molecular Weight: 360.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)c1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1
Standard InChI: InChI=1S/C19H24N2OS2/c1-14(2)16-8-6-15(7-9-16)12-17-18(22)21(19(23)24-17)13-20-10-4-3-5-11-20/h6-9,12,14H,3-5,10-11,13H2,1-2H3/b17-12-
Standard InChI Key: BSYFJKQUWXSFDJ-ATVHPVEESA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
c-Myc/c-Max 51 Activities
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HL-60 67320 Activities
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Protein max 98 Activities
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Associated Targets(non-human)
Myc proto-oncogene protein 8 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: 360.55 | Molecular Weight (Monoisotopic): 360.1330 | AlogP: 4.45 | #Rotatable Bonds: 4 |
| Polar Surface Area: 23.55 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.09 | CX LogP: 5.19 | CX LogD: 5.01 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.58 | Np Likeness Score: -1.69 |
References
| 1. Yap JL, Chauhan J, Jung K, Chen L, Prochownik EV, Fletcher S. (2012) Small-molecule inhibitors of dimeric transcription factors: Antagonism of proteinprotein and proteinDNA interactions, 3 (5): [10.1039/C2MD00289B] |
| 2. (2011) Low molecular weight MYC-MAX inhibitors, |
Source
Source(2):