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Compound Detail

CHEMBL5188776

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CN1Cc2nn(Cc3cc4ccccc4o3)c(-c3ccccc3F)c2C1

Basic Information

ChEMBL ID CHEMBL5188776
Phase Preclinical
Structure Type MOL
InChI Key LKOHMOAPBNVMIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.43
ALogP
4
HBA
0
HBD
34.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN3O
MW 347.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.37 5.37 4305.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4305.0 nM 5.37 Inhibition of rabbit stomach K+ stimulated H(+)/K(+) ATPase activity incubated f... 35477061

Literature References

PubMed DOI Target Context # Activities
35477061 10.1016/j.bmc.2022.116765 Unchecked 1

Data from ChEMBL 36 via Core Engine