The store will not work correctly when cookies are disabled.
SID14738021
ID: ALA1313532
Chembl Id: CHEMBL1313532
PubChem CID: 9551254
Max Phase: Preclinical
Molecular Formula: C18H23N3O2S
Molecular Weight: 345.47
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: CCn1c(=O)cc(SCC(=O)N2CCN(C)CC2)c2ccccc21
Standard InChI: InChI=1S/C18H23N3O2S/c1-3-21-15-7-5-4-6-14(15)16(12-17(21)22)24-13-18(23)20-10-8-19(2)9-11-20/h4-7,12H,3,8-11,13H2,1-2H3
Standard InChI Key: SJDLZZWDHJYHSG-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: 345.47 | Molecular Weight (Monoisotopic): 345.1511 | AlogP: 1.89 | #Rotatable Bonds: 4 |
| Polar Surface Area: 45.55 | Molecular Species: NEUTRAL | HBA: 5 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 6.59 | CX LogP: 0.62 | CX LogD: 0.56 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.79 | Np Likeness Score: -1.67 |
References
| 1. PubChem BioAssay data set, |
