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Compound Detail

CHEMBL1375418

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Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1

Basic Information

ChEMBL ID CHEMBL1375418
Phase Preclinical
Structure Type MOL
InChI Key PWNFEFRGKMPFSG-UHFFFAOYSA-N
11
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.71
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.62
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 C19H17N5
MW 315.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.16

Activity Summary

Ki 11 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.7 6.7 199.5 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 6.5 6.5 316.2 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 5.8 5.8 1584.9 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 5.4 5.4 3981.1 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.3 5.3 5011.9 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.3 5.3 5011.9 1
SRSF protein kinase 1
CHEMBL4375
Ki 5.2 5.2 6309.6 1
Lymphokine-activated killer T-cell-originated protein kinase
CHEMBL4896
Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.2 5.2 6309.6 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.1 5.1 7943.3 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-3 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
5'-AMP-activated protein kinase catalytic subunit alpha-1 Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 5 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP/microtubule affinity-regulating kinase 3 Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Lymphokine-activated killer T-cell-originated protein kinase Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase TAO1 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
SRSF protein kinase 1 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D3 Ki = 10000.0 nM 5.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine