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Compound Detail

CHEMBL5207911

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CN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3)c2C1

Basic Information

ChEMBL ID CHEMBL5207911
Phase Preclinical
Structure Type MOL
InChI Key JZPCDADPKMVUJX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.25
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O
MW 305.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.73 5.73 1850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1850.0 nM 5.73 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