| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4573018
Max Phase: Preclinical
Molecular Formula: C20H17N3O2S2
Molecular Weight: 395.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)cc2)C1=O
Standard InChI: InChI=1S/C20H17N3O2S2/c1-12(2)23-18(24)17(27-20(23)25)11-13-7-9-14(10-8-13)26-19-21-15-5-3-4-6-16(15)22-19/h3-12H,1-2H3,(H,21,22)/b17-11-
Standard InChI Key: WDMVAODTDGSJQZ-BOPFTXTBSA-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 |
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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: 395.51 | Molecular Weight (Monoisotopic): 395.0762 | AlogP: 5.16 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.06 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.19 | CX Basic pKa: 3.99 | CX LogP: 5.01 | CX LogD: 5.01 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.62 | Np Likeness Score: -1.80 |
References
| 1. (2018) Myc modulators and uses thereof, |
Source
Source(1):