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SID856670
ID: ALA1588879
Chembl Id: CHEMBL1588879
PubChem CID: 658021
Max Phase: Preclinical
Molecular Formula: C10H15N4PS3
Molecular Weight: 318.43
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: CSC1=NP(=S)(SC)N(C)c2nc3n(c21)CCC3
Standard InChI: InChI=1S/C10H15N4PS3/c1-13-9-8(14-6-4-5-7(14)11-9)10(17-2)12-15(13,16)18-3/h4-6H2,1-3H3
Standard InChI Key: QKLTUTBVIMCXOV-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 |
|---|
Calculated Properties
| Molecular Weight: 318.43 | Molecular Weight (Monoisotopic): 318.0196 | AlogP: 2.98 | #Rotatable Bonds: 1 |
| Polar Surface Area: 33.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 1.04 | CX LogP: 1.83 | CX LogD: 1.83 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.74 | Np Likeness Score: -0.83 |
References
| 1. PubChem BioAssay data set, |
