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Assay Detail

CHEMBL1646221

Review assay metadata, readout intent, target linkage, and publication context from the same page.

ADMET
Inhibition of human CYP3A4
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Novel serotonin type 3 receptor partial agonists for the potential treatment of irritable bowel syndrome.
Manning DD, Cioffi CL, Usyatinsky A, Fitzpatrick K, Masih L, Guo C, Zhang Z, Choo SH, Sikkander MI, Ryan KN, Naginskaya J, Hassler C, Dobritsa S, Wierschke JD, Earley WG, Butler AS, Brady CA, Barnes NM, Cohen ML, Guzzo PR.
Bioorg Med Chem Lett (2011) 21 : 58 -61
PubMed 21146988 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 5.63 6.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1110 ALOSETRON 4.0 1 6.22
CHEMBL1643880 PUMOSETRAG 2.0 1 5.03
CHEMBL1643881 1 -
CHEMBL1643883 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1110 ALOSETRON IC50 = 600.0 nM 6.22
CHEMBL1643880 PUMOSETRAG IC50 = 9300.0 nM 5.03
CHEMBL1643881 IC50 < 10000.0 nM -
CHEMBL1643883 IC50 < 10000.0 nM -