| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4546028
Max Phase: Preclinical
Molecular Formula: C12H10N2O2S
Molecular Weight: 246.29
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: OCc1ccc(Sc2nc3ccccc3[nH]2)o1
Standard InChI: InChI=1S/C12H10N2O2S/c15-7-8-5-6-11(16-8)17-12-13-9-3-1-2-4-10(9)14-12/h1-6,15H,7H2,(H,13,14)
Standard InChI Key: PZHJFIJSJBMKBK-UHFFFAOYSA-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: 246.29 | Molecular Weight (Monoisotopic): 246.0463 | AlogP: 2.80 | #Rotatable Bonds: 3 |
| Polar Surface Area: 62.05 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.81 | CX Basic pKa: 3.71 | CX LogP: 2.51 | CX LogD: 2.51 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.75 | Np Likeness Score: -1.19 |
References
| 1. (2018) Myc modulators and uses thereof, |
Source
Source(1):