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Compound Detail

CHEMBL1974250

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O=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccncc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1974250
Phase Preclinical
Structure Type MOL
InChI Key GVOOEMLKTIRYCO-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.01
ALogP
5
HBA
2
HBD
92.2
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 C19H15N5O2
MW 345.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.34

Activity Summary

Ki 9 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 8.6 8.6 2.5 1
Dual specificity protein kinase CLK4
CHEMBL4203
 Ki 8.3 8.3 5.0 1
Cell division cycle 7-related protein kinase
CHEMBL5443
 Ki 8.3 8.3 5.0 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
 Ki 7.7 7.7 19.9 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 7.6 7.6 25.1 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
 Ki 7.0 7.0 100.0 1
Cyclin-dependent kinase 2
CHEMBL301
 Ki 6.8 6.8 158.5 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
 Ki 5.4 5.4 3981.1 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cell division cycle 7-related protein kinase Ki = 5.012 nM 8.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 5.012 nM 8.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 4 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine