| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4579103
Max Phase: Preclinical
Molecular Formula: C17H18N4OS2
Molecular Weight: 358.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@@H](C)N[C@@H]2C
Standard InChI: InChI=1S/C17H18N4OS2/c1-8-6-11-14(17-21-12-7-18-5-4-13(12)23-17)16(20-10(3)22)24-15(11)9(2)19-8/h4-5,7-9,19H,6H2,1-3H3,(H,20,22)/t8-,9-/m1/s1
Standard InChI Key: LEAHJAIHLLRHKK-RKDXNWHRSA-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: 358.49 | Molecular Weight (Monoisotopic): 358.0922 | AlogP: 3.97 | #Rotatable Bonds: 2 |
| Polar Surface Area: 66.91 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.57 | CX Basic pKa: 8.58 | CX LogP: 2.55 | CX LogD: 1.46 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.73 | Np Likeness Score: -0.79 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):