N-(2,6-dichlorophenyl)-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

ID: ALA2251950

Chembl Id: CHEMBL2251950

PubChem CID: 76333609

Max Phase: Preclinical

Molecular Formula: C13H8Cl2F3N5O2S

Molecular Weight: 426.21

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Cc1nc(C(F)(F)F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12

Standard InChI:  InChI=1S/C13H8Cl2F3N5O2S/c1-6-19-9(13(16,17)18)5-10-20-12(21-23(6)10)26(24,25)22-11-7(14)3-2-4-8(11)15/h2-5,22H,1H3

Standard InChI Key:  IWIVAMOZIDHPGR-UHFFFAOYSA-N

Associated Targets(non-human)

Eclipta prostrata (267 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rumex acetosa (57 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Amaranthus retroflexus (1838 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chenopodium album (769 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cyperus iria (145 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cerastium arvense (26 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Polygonum humifusum (44 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Galium aparine (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brassica juncea (453 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Poa annua (183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Digitaria sanguinalis (1594 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Echinochloa crus-galli (3685 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALS Acetolactate synthase (354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 426.21Molecular Weight (Monoisotopic): 424.9728AlogP: 3.56#Rotatable Bonds: 3
Polar Surface Area: 89.25Molecular Species: NEUTRALHBA: 6HBD: 1
#RO5 Violations: 0HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 8.76CX Basic pKa: CX LogP: 3.73CX LogD: 3.71
Aromatic Rings: 3Heavy Atoms: 26QED Weighted: 0.69Np Likeness Score: -1.78

References

1. Chen CN, Chen Q, Liu YC, Zhu XL, Niu CW, Xi Z, Yang GF..  (2010)  Syntheses and herbicidal activity of new triazolopyrimidine-2-sulfonamides as acetohydroxyacid synthase inhibitor.,  18  (14): [PMID:20598554] [10.1016/j.bmc.2010.06.015]

Source