The store will not work correctly when cookies are disabled.
SID14734905
ID: ALA1430974
Chembl Id: CHEMBL1430974
PubChem CID: 1287305
Max Phase: Preclinical
Molecular Formula: C19H23NO5S
Molecular Weight: 377.46
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1C
Standard InChI: InChI=1S/C19H23NO5S/c1-11-8-13(19(3,4)5)9-17(12(11)2)26(24,25)20-14-6-7-16(21)15(10-14)18(22)23/h6-10,20-21H,1-5H3,(H,22,23)
Standard InChI Key: UTLSNXSHWQOXQS-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: 377.46 | Molecular Weight (Monoisotopic): 377.1297 | AlogP: 3.81 | #Rotatable Bonds: 4 |
| Polar Surface Area: 103.70 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 2.66 | CX Basic pKa: ┄ | CX LogP: 5.04 | CX LogD: 1.47 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.70 | Np Likeness Score: -1.15 |
References
| 1. PubChem BioAssay data set, |
