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Compound Detail

CHEMBL5432054

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O=c1oc2ccc(O)cc2c2c1NCCC2

Basic Information

ChEMBL ID CHEMBL5432054
Phase Preclinical
Structure Type MOL
InChI Key VDZXTSOINJESSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
1.86
ALogP
4
HBA
2
HBD
62.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO3
MW 217.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.65

Activity Summary

IC50 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase D1
CHEMBL3863
IC50 5.63 5.63 2340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase D1 IC50 = 2340.0 nM 5.63 Inhibition of PKD1 (unknown origin) 36538005

Literature References

PubMed DOI Target Context # Activities
36538005 10.1021/acs.jmedchem.2c01599 Serine/threonine-protein kinase D1 1

Data from ChEMBL 36 via Core Engine