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Compound Detail

CHEMBL492055

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Cc1nn(-c2cccc(N(C)C)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492055
Phase Preclinical
Structure Type MOL
InChI Key YBCXNIYSNJHIKZ-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
4.97
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5
MW 371.49
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK1
CHEMBL3024
 IC50 6.01 6.01 977.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase PLK1 IC50 = 977.0 nM 6.01 Inhibition of Plk1 18793847

Literature References

PubMed DOI Target Context # Activities
18793847 10.1016/j.bmcl.2008.08.095 Serine/threonine-protein kinase PLK1 1

Data from ChEMBL 36 via Core Engine