The store will not work correctly when cookies are disabled.
ID: ALA2093739
Max Phase: Preclinical
Molecular Formula: C14H10N4S2
Molecular Weight: 298.40
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): TDR81268
Synonyms from Alternative Forms(1):
Canonical SMILES: Cc1nc2c(SCC#N)nnc(-c3ccccc3)c2s1
Standard InChI: InChI=1S/C14H10N4S2/c1-9-16-12-13(20-9)11(10-5-3-2-4-6-10)17-18-14(12)19-8-7-15/h2-6H,8H2,1H3
Standard InChI Key: ZWAMEYNEIUHTEG-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 298.40 | Molecular Weight (Monoisotopic): 298.0347 | AlogP: 3.68 | #Rotatable Bonds: 3 |
| Polar Surface Area: 62.46 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.98 | CX LogP: 2.52 | CX LogD: 2.52 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.69 | Np Likeness Score: -2.15 |
References
| 1. Solomon Nwaka, Dominique Besson, Bernadette Ramirez, Louis Maes, An Matheeussen, Quentin Bickle, Nuha R. Mansour, Fouad Yousif, Simon Townson, Suzanne Gokool, Fidelis Cho-Ngwa, Moses Samje, Shailja Misra-Bhattacharya, P. K. Murthy, Foluke Fakorede, Jean-Marc Paris, Clive Yeates, Robert Ridley, Wesley C. Van Voorhis, Timothy Geary. WHO-TDR NTD Screening, [10.6019/CHEMBL2093137] |
