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Compound Detail

CHEMBL4763473

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O=C(CCl)c1ccccc1Nc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763473
Phase Preclinical
Structure Type MOL
InChI Key JPVDFGYNLUBCSD-UHFFFAOYSA-N
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

313.7
MW (Da)
4.87
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClF3NO
MW 313.71
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.41

Activity Summary

IC50 4 meas. best 6.1
EC50 2 meas. best 5.23
Ki 1 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
 IC50 6.1 5.475 800.0 2
TEAD2-YAP1
CHEMBL5465558
 IC50 5.37 5.37 4300.0 1
Transcriptional enhancer factor TEF-3
CHEMBL4295828
 EC50 5.23 5.23 5900.0 1
YAP1-TEAD4
CHEMBL5465250
 IC50 5.23 5.23 5900.0 1
Unchecked
CHEMBL612545
 EC50 5.23 5.23 5900.0 1
Transcriptional enhancer factor TEF-3
CHEMBL4295828
 Ki 4.98 4.98 10400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transcriptional enhancer factor TEF-3 IC50 = 800.0 nM 6.1 Inhibition of CPM binding to N-terminal His6-tagged human TEAD4 (217 to 434 resi... 32907324
TEAD2-YAP1 IC50 = 4300.0 nM 5.37 Inhibition of FAM-labelled GST-tagged full-length YAP (60 to 99 residues)(unknow... 36063664
Unchecked EC50 = 5900.0 nM 5.23 Inhibition of TEAD4/Yap1 (unknown origin) interaction measured after 24 hrs by f... 34509860
Transcriptional enhancer factor TEF-3 EC50 = 5900.0 nM 5.23 Inhibition of GST-tagged recombinant TEAD4 (unknown origin) (217 to 434 residues... 38621327
YAP1-TEAD4 IC50 = 5900.0 nM 5.23 Inhibition of FAM-labelled GST-tagged full-length YAP (60 to 99 residues)(unknow... 36063664
Transcriptional enhancer factor TEF-3 Ki = 10400.0 nM 4.98 Inhibition of CPM binding to N-terminal His6-tagged human TEAD4 (217 to 434 resi... 32907324
Transcriptional enhancer factor TEF-3 IC50 = 14100.0 nM 4.85 Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged hu... 32907324

Literature References

PubMed DOI Target Context # Activities
32907324 10.1021/acs.jmedchem.0c01275 Transcriptional enhancer factor TEF-3 4
34509860 10.1016/j.ejmech.2021.113835 Unchecked 1
36063664 10.1016/j.ejmech.2022.114684 YAP1-TEAD4 1
36063664 10.1016/j.ejmech.2022.114684 TEAD2-YAP1 1
38621327 10.1016/j.ejmech.2024.116408 Transcriptional enhancer factor TEF-3 1

Data from ChEMBL 36 via Core Engine