| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5272382
Max Phase: Preclinical
Molecular Formula: C19H23N3O4S
Molecular Weight: 389.48
Associated Items:
Representations
Canonical SMILES: COc1ccc(C2SC(N)=NC2c2cc(OC)c(OC)c(OC)c2)cc1N
Standard InChI: InChI=1S/C19H23N3O4S/c1-23-13-6-5-10(7-12(13)20)18-16(22-19(21)27-18)11-8-14(24-2)17(26-4)15(9-11)25-3/h5-9,16,18H,20H2,1-4H3,(H2,21,22)
Standard InChI Key: LCYWNJMYLVFAEC-UHFFFAOYSA-N
Associated Targets(non-human)
Tubulin 2175 Activities
Colon 26 524 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: | 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: 389.48 | Molecular Weight (Monoisotopic): 389.1409 | AlogP: 3.15 | #Rotatable Bonds: 6 |
| Polar Surface Area: 101.32 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.05 | CX LogP: 2.29 | CX LogD: 1.56 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.73 | Np Likeness Score: 0.09 |
References
| 1. Sharma PC, Bansal KK, Sharma A, Sharma D, Deep A.. (2020) Thiazole-containing compounds as therapeutic targets for cancer therapy., 188 [PMID:31926469] [10.1016/j.ejmech.2019.112016] |
Source
Source(1):