ID: ALA4465537
Chembl Id: CHEMBL4465537
PubChem CID: 672030
Max Phase: Preclinical
Molecular Formula: C5H3IN2OS
Molecular Weight: 266.06
Molecule Type: Unknown
Associated Items:
Canonical SMILES: COc1nsc(I)c1C#N
Standard InChI: InChI=1S/C5H3IN2OS/c1-9-5-3(2-7)4(6)10-8-5/h1H3
Standard InChI Key: OKLLFRGXGSWZEC-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 266.06 | Molecular Weight (Monoisotopic): 265.9011 | AlogP: 1.63 | #Rotatable Bonds: 1 |
| Polar Surface Area: 45.91 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.33 | CX LogD: 2.33 |
| Aromatic Rings: 1 | Heavy Atoms: 10 | QED Weighted: 0.73 | Np Likeness Score: -1.79 |
| 1. (2014) Inhibitors of crl4 ubiquitin ligase and uses thereof, |
Source(1):
