| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4578047
Max Phase: Preclinical
Molecular Formula: C21H25N5O2S2
Molecular Weight: 443.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCN(CCN1CCOCC1)C2
Standard InChI: InChI=1S/C21H25N5O2S2/c1-14(27)23-20-19(21-24-16-12-22-4-2-17(16)29-21)15-3-5-26(13-18(15)30-20)7-6-25-8-10-28-11-9-25/h2,4,12H,3,5-11,13H2,1H3,(H,23,27)
Standard InChI Key: KNMVWDKZRAGQGT-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: 443.60 | Molecular Weight (Monoisotopic): 443.1450 | AlogP: 3.07 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.59 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.57 | CX Basic pKa: 7.16 | CX LogP: 2.02 | CX LogD: 1.82 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.65 | Np Likeness Score: -2.05 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):