ID: ALA1533337
Chembl Id: CHEMBL1533337
PubChem CID: 803385
Max Phase: Preclinical
Molecular Formula: C10H9NOS3
Molecular Weight: 255.39
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CSC1=N/C(=C\c2ccc(C)s2)C(=O)S1
Standard InChI: InChI=1S/C10H9NOS3/c1-6-3-4-7(14-6)5-8-9(12)15-10(11-8)13-2/h3-5H,1-2H3/b8-5-
Standard InChI Key: UFWPFWLRSPGECK-YVMONPNESA-N
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| 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 255.39 | Molecular Weight (Monoisotopic): 254.9846 | AlogP: 3.39 | #Rotatable Bonds: 1 |
| Polar Surface Area: 29.43 | Molecular Species: NEUTRAL | HBA: 5 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.36 | CX LogD: 4.36 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.72 | Np Likeness Score: -2.04 |
| 1. PubChem BioAssay data set, |
Source(1):
