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Compound Detail

CHEMBL1983157

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CCCCNc1cc(-c2ccncc2)cc2[nH]nc(N)c12

Basic Information

ChEMBL ID CHEMBL1983157
Phase Preclinical
Structure Type MOL
InChI Key JMQCXZBXWOIDIO-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.42
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N5
MW 281.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.99

Activity Summary

Ki 10 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.5 8.5 3.2 1
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.9 7.9 12.6 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 7.2 7.2 63.1 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 7.1 7.1 79.4 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.7 6.7 199.5 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.5 6.5 316.2 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.4 6.4 398.1 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.4 6.4 398.1 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.6 5.6 2511.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK4 Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cell division cycle 7-related protein kinase Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 4 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine