| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3972853
Max Phase: Preclinical
Molecular Formula: C18H15N3O2S
Molecular Weight: 337.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccsc1C/N=C1/CC(=O)/C(=C/c2c[nH]c3ncccc23)O1
Standard InChI: InChI=1S/C18H15N3O2S/c1-11-4-6-24-16(11)10-20-17-8-14(22)15(23-17)7-12-9-21-18-13(12)3-2-5-19-18/h2-7,9H,8,10H2,1H3,(H,19,21)/b15-7-,20-17-
Standard InChI Key: FCAACBXZSFTUBR-OERNRODHSA-N
Associated Targets(Human)
Cell division cycle 7-related protein kinase 1385 Activities
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: 337.40 | Molecular Weight (Monoisotopic): 337.0885 | AlogP: 3.86 | #Rotatable Bonds: 3 |
| Polar Surface Area: 67.34 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.51 | CX Basic pKa: 3.29 | CX LogP: 3.58 | CX LogD: 3.54 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.74 | Np Likeness Score: -1.04 |
References
| 1. (2014) Furanone derivative, |
Source
Source(1):