The store will not work correctly when cookies are disabled.
SID26671366
ID: ALA1328892
Chembl Id: CHEMBL1328892
PubChem CID: 1547995
Max Phase: Preclinical
Molecular Formula: C19H13ClN2O4
Molecular Weight: 368.78
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C19H13ClN2O4/c20-10-5-6-15-14(9-10)11(16(21-15)19(25)26)7-8-22-17(23)12-3-1-2-4-13(12)18(22)24/h1-6,9,21H,7-8H2,(H,25,26)
Standard InChI Key: NZNBAVDKVCPHSF-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: 368.78 | Molecular Weight (Monoisotopic): 368.0564 | AlogP: 3.36 | #Rotatable Bonds: 4 |
| Polar Surface Area: 90.47 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 3.58 | CX Basic pKa: ┄ | CX LogP: 3.21 | CX LogD: -0.14 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.69 | Np Likeness Score: -0.78 |
References
| 1. PubChem BioAssay data set, |
