ID: ALA4586689
Chembl Id: CHEMBL4586689
PubChem CID: 124120135
Max Phase: Preclinical
Molecular Formula: C15H14N4OS2
Molecular Weight: 330.44
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3cccnc3s1)CCNC2
Standard InChI: InChI=1S/C15H14N4OS2/c1-8(20)18-14-12(9-4-6-16-7-11(9)21-14)15-19-10-3-2-5-17-13(10)22-15/h2-3,5,16H,4,6-7H2,1H3,(H,18,20)
Standard InChI Key: PKTMKGGXILZQAJ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 330.44 | Molecular Weight (Monoisotopic): 330.0609 | AlogP: 3.02 | #Rotatable Bonds: 2 |
| Polar Surface Area: 66.91 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 10.57 | CX Basic pKa: 8.42 | CX LogP: 2.20 | CX LogD: 1.14 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.76 | Np Likeness Score: -1.96 |
| 1. (2018) Compounds for the modulation of myc activity, |
Source(1):
