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Compound Detail

CHEMBL2146838

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O=C(C1COc2ccccc2O1)N1N=C(c2ccccc2)CC1c1cccc(F)c1

Basic Information

ChEMBL ID CHEMBL2146838
Phase Preclinical
Structure Type MOL
InChI Key OXPBOTODAMHWNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
4.34
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19FN2O3
MW 402.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1700.0 nM 5.77 Inhibition of full length GST-tagged mouse B-Raf V600E mutant-mediated MEK1 phos... 22985962

Literature References

PubMed DOI Target Context # Activities
22985962 10.1016/j.bmc.2012.08.043 Rattus norvegicus 5
22985962 10.1016/j.bmc.2012.08.043 Unchecked 1
22985962 10.1016/j.bmc.2012.08.043 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine