| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593332
Max Phase: Preclinical
Molecular Formula: C23H25ClN6OS2
Molecular Weight: 501.08
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-n4cnc(Cl)c4)ccc3s1)CCNC2
Standard InChI: InChI=1S/C23H25ClN6OS2/c1-13(2)26-8-6-20(31)29-23-21(15-5-7-25-10-18(15)33-23)22-28-16-9-14(3-4-17(16)32-22)30-11-19(24)27-12-30/h3-4,9,11-13,25-26H,5-8,10H2,1-2H3,(H,29,31)
Standard InChI Key: GPPXUWFSHLCXHG-UHFFFAOYSA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
NCI-H2171 837 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 501.08 | Molecular Weight (Monoisotopic): 500.1220 | AlogP: 4.84 | #Rotatable Bonds: 7 |
| Polar Surface Area: 83.87 | Molecular Species: BASE | HBA: 8 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.58 | CX Basic pKa: 9.72 | CX LogP: 3.81 | CX LogD: 0.76 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.34 | Np Likeness Score: -1.99 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):