The store will not work correctly when cookies are disabled.
ID: ALA3208415
Max Phase: Preclinical
Molecular Formula: C14H23N3S
Molecular Weight: 265.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)NC(=S)N/N=C/C1=CCC2CC1C2(C)C
Standard InChI: InChI=1S/C14H23N3S/c1-9(2)16-13(18)17-15-8-10-5-6-11-7-12(10)14(11,3)4/h5,8-9,11-12H,6-7H2,1-4H3,(H2,16,17,18)/b15-8+
Standard InChI Key: CFIYJXLBYHAXKF-OVCLIPMQSA-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 |
|---|
Properties
| Molecular Weight: 265.43 | Molecular Weight (Monoisotopic): 265.1613 | AlogP: 2.84 | #Rotatable Bonds: 3 |
| Polar Surface Area: 36.42 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.34 | CX Basic pKa: 3.34 | CX LogP: 2.81 | CX LogD: 2.81 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.47 | Np Likeness Score: -0.11 |
References
| 1. PubChem BioAssay data set, |
