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Compound Detail

CHEMBL1970709

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O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1

Basic Information

ChEMBL ID CHEMBL1970709
Phase Preclinical
Structure Type MOL
InChI Key NPLQZQGAZAUUTB-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
3.65
ALogP
2
HBA
3
HBD
69.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13BrN4O
MW 345.20
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.19

Activity Summary

Ki 9 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP-dependent protein kinase catalytic subunit PRKX
CHEMBL5818
Ki 8.9 8.9 1.3 1
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
Ki 7.3 7.3 50.1 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 7.3 7.3 50.1 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 7.0 7.0 100.0 1
cGMP-dependent protein kinase 2
CHEMBL2896
Ki 6.5 6.5 316.2 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.5 6.5 316.2 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 6.4 6.4 398.1 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine