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Compound Detail

CHEMBL2005548

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CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21

Basic Information

ChEMBL ID CHEMBL2005548
Phase Preclinical
Structure Type MOL
InChI Key SKLNUYVBOFIJAT-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.3
MW (Da)
5.08
ALogP
8
HBA
2
HBD
102.3
PSA (Ų)
0.38
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 C23H20Cl2N4O4
MW 487.34
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.32

Activity Summary

Ki 8 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
Ki 7.6 7.6 25.1 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 6.6 6.6 251.2 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 6.5 6.5 316.2 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase PAK 1
CHEMBL4600
Ki 5.6 5.6 2511.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine