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Compound Detail

CHEMBL3688360

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CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NCC1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3688360
Phase Preclinical
Structure Type MOL
InChI Key AWHKRPSVZUUUIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
5.27
ALogP
6
HBA
2
HBD
78.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24Cl2N4O2
MW 459.38
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maternal embryonic leucine zipper kinase
CHEMBL4578
 IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Maternal embryonic leucine zipper kinase IC50 = 0.7 nM 9.15 Kinase Assay: MELK activity was determined in the presence or absence of compoun... -

Data from ChEMBL 36 via Core Engine