| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2287510
Max Phase: Preclinical
Molecular Formula: C17H16Cl2N2O3
Molecular Weight: 367.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Standard InChI: InChI=1S/C17H16Cl2N2O3/c1-2-9-20-17(23)24-15-8-5-12(19)10-14(15)16(22)21-13-6-3-11(18)4-7-13/h3-8,10H,2,9H2,1H3,(H,20,23)(H,21,22)
Standard InChI Key: BZKRSLKTDUIIEO-UHFFFAOYSA-N
Associated Targets(non-human)
Photosystem Q(B) protein 185 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: 367.23 | Molecular Weight (Monoisotopic): 366.0538 | AlogP: 4.74 | #Rotatable Bonds: 5 |
| Polar Surface Area: 67.43 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.65 | CX LogD: 4.65 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.80 | Np Likeness Score: -1.51 |
References
| 1. Imramovsky A, Pesko M, Ferriz JM, Kralova K, Vinsova J, Jampilek J.. (2011) Photosynthesis-Inhibiting efficiency of 4-chloro-2-(chlorophenylcarbamoyl)phenyl alkylcarbamates., 21 (15): [PMID:21724391] [10.1016/j.bmcl.2011.05.118] |
Source
Source(1):