The store will not work correctly when cookies are disabled.
SID864186
ID: ALA1466260
Chembl Id: CHEMBL1466260
PubChem CID: 665434
Max Phase: Preclinical
Molecular Formula: C17H21N5OS
Molecular Weight: 343.46
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: Cc1cc(C)n(-c2nc(NCCO)c3c4c(sc3n2)CCCC4)n1
Standard InChI: InChI=1S/C17H21N5OS/c1-10-9-11(2)22(21-10)17-19-15(18-7-8-23)14-12-5-3-4-6-13(12)24-16(14)20-17/h9,23H,3-8H2,1-2H3,(H,18,19,20)
Standard InChI Key: BTHPCHLTMIJLSY-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: 343.46 | Molecular Weight (Monoisotopic): 343.1467 | AlogP: 2.78 | #Rotatable Bonds: 4 |
| Polar Surface Area: 75.86 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 2.34 | CX LogP: 3.35 | CX LogD: 3.35 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.76 | Np Likeness Score: -2.57 |
References
| 1. PubChem BioAssay data set, |
