| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1732579
Max Phase: Preclinical
Molecular Formula: C17H15N3O4S
Molecular Weight: 357.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)c2c(O)nc(SCC(=O)c3ccc(O)c(O)c3)nc2n1
Standard InChI: InChI=1S/C17H15N3O4S/c1-8-5-9(2)18-15-14(8)16(24)20-17(19-15)25-7-13(23)10-3-4-11(21)12(22)6-10/h3-6,21-22H,7H2,1-2H3,(H,18,19,20,24)
Standard InChI Key: RDMYXZLESVAHOO-UHFFFAOYSA-N
Associated Targets(Human)
Alkaline phosphatase placental-like 1197 Activities
Alkaline phosphatase, tissue-nonspecific isozyme 1551 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 357.39 | Molecular Weight (Monoisotopic): 357.0783 | AlogP: 2.73 | #Rotatable Bonds: 4 |
| Polar Surface Area: 116.43 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.86 | CX Basic pKa: 1.20 | CX LogP: 3.09 | CX LogD: 2.96 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.28 | Np Likeness Score: -0.99 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):