| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA601242
Max Phase: Preclinical
Molecular Formula: C16H14Cl2N2O3
Molecular Weight: 353.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Standard InChI: InChI=1S/C16H14Cl2N2O3/c1-2-19-16(22)23-14-8-5-11(18)9-13(14)15(21)20-12-6-3-10(17)4-7-12/h3-9H,2H2,1H3,(H,19,22)(H,20,21)
Standard InChI Key: PPNHFQVBAFEEFT-UHFFFAOYSA-N
Associated Targets(non-human)
Mycobacterium tuberculosis 203094 Activities
Mycobacterium avium 4587 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mycobacterium kansasii 6484 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Photosystem Q(B) protein 185 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: 353.21 | Molecular Weight (Monoisotopic): 352.0381 | AlogP: 4.35 | #Rotatable Bonds: 4 |
| 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: 4.13 | CX LogD: 4.13 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.86 | Np Likeness Score: -1.45 |
References
| 1. Férriz JM, Vávrová K, Kunc F, Imramovský A, Stolaríková J, Vavríková E, Vinsová J.. (2010) Salicylanilide carbamates: antitubercular agents active against multidrug-resistant Mycobacterium tuberculosis strains., 18 (3): [PMID:20060303] [10.1016/j.bmc.2009.12.055] |
| 2. 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):