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Compound Detail

CHEMBL5403233

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O=C(CCl)N1N=C(c2ccc(Br)cc2)CC1c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403233
Phase Preclinical
Structure Type MOL
InChI Key WYPDBGPPRCSYIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.7
MW (Da)
4.50
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13BrClFN2O
MW 395.66
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
YAP1-TEAD4
CHEMBL5465250
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
YAP1-TEAD4 IC50 = 1500.0 nM 5.82 Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... 37731696

Literature References

PubMed DOI Target Context # Activities
37731696 10.1039/d3md00264k YAP1-TEAD4 3
37731696 10.1039/d3md00264k Unchecked 3

Data from ChEMBL 36 via Core Engine