| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4565551
Max Phase: Preclinical
Molecular Formula: C20H25N5OS2
Molecular Weight: 415.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2
Standard InChI: InChI=1S/C20H25N5OS2/c1-3-12(2)23-9-6-17(26)25-20-18(13-4-7-22-11-16(13)28-20)19-24-14-10-21-8-5-15(14)27-19/h5,8,10,12,22-23H,3-4,6-7,9,11H2,1-2H3,(H,25,26)
Standard InChI Key: ZBRPBUKYJOIFCH-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 |
|---|
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: 415.59 | Molecular Weight (Monoisotopic): 415.1501 | AlogP: 3.78 | #Rotatable Bonds: 7 |
| Polar Surface Area: 78.94 | Molecular Species: BASE | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.62 | CX Basic pKa: 9.83 | CX LogP: 2.47 | CX LogD: -0.66 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.55 | Np Likeness Score: -1.92 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):