| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4578105
Max Phase: Preclinical
Molecular Formula: C19H17N3O4S2
Molecular Weight: 415.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c12
Standard InChI: InChI=1S/C19H17N3O4S2/c1-10(2)22-17(23)14(27-19(22)24)9-11-7-8-15(26-11)28-18-20-12-5-4-6-13(25-3)16(12)21-18/h4-10H,1-3H3,(H,20,21)/b14-9-
Standard InChI Key: KCZNWOQJHMQCQM-ZROIWOOFSA-N
Associated Targets(Human)
NCI-H1975 4994 Activities
NAMALVA 207 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Myc proto-oncogene protein 1178 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: 415.50 | Molecular Weight (Monoisotopic): 415.0660 | AlogP: 4.76 | #Rotatable Bonds: 5 |
| Polar Surface Area: 88.43 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.00 | CX Basic pKa: 4.32 | CX LogP: 4.00 | CX LogD: 3.99 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.60 | Np Likeness Score: -1.59 |
References
| 1. (2018) Myc modulators and uses thereof, |
Source
Source(1):