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Compound Detail

CHEMBL5876616

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Cc1ccc2[nH]nc(-c3ccc4c(c3)OCO4)c2c1

Basic Information

ChEMBL ID CHEMBL5876616
Phase Preclinical
Structure Type MOL
InChI Key ZSSBQAFIQHRGDL-UHFFFAOYSA-N
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
3.27
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O2
MW 252.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.84

Activity Summary

IC50 9 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity mitogen-activated protein kinase kinase 4
CHEMBL2897
IC50 6.96 6.5333 110.0 3
Mitogen-activated protein kinase 6
CHEMBL5121
IC50 5.5 5.5 3200.0 1
Unchecked
CHEMBL612545
IC50 5.21 5.21 6100.0 1
Mitogen-activated protein kinase 1
CHEMBL4040
IC50 5.18 5.18 6600.0 1
MAP kinase-activated protein kinase 3
CHEMBL4670
IC50 5.07 5.07 8500.0 1
MAP kinase-activated protein kinase 2
CHEMBL2208
IC50 5.04 5.04 9100.0 1
MAP kinase-activated protein kinase 5
CHEMBL3094
IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine