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Compound Detail

CHEMBL1991434

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COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC

Basic Information

ChEMBL ID CHEMBL1991434
Phase Preclinical
Structure Type MOL
InChI Key MHEQZGILOSVPBZ-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.2
MW (Da)
3.81
ALogP
5
HBA
0
HBD
57.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14BrNO4
MW 388.22
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.48

Activity Summary

Ki 7 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit alpha
CHEMBL3629
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 6.5 6.5 316.2 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 6.1 6.1 794.3 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.8 5.8 1584.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 5.6 5.6 2511.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine