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Compound Detail

CHEMBL4482864

TIZATERKIB
Phase I
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Phase I
COC[C@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)nc2C(=O)N1Cc1ccc(F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4482864
Name TIZATERKIB
Phase Phase I
Structure Type MOL
InChI Key HVIGNZUDBVLTLU-MRXNPFEDSA-N

Known Names

Atg-017 ATG017 AZ-13820216 AZ13820216 AZD-0364 AZD0364 Tizaterkib
6
Targets
10
Activities
2
Assay Types
14
PK Parameters
20
Publications
7
Known Names
1
Indications

Molecular Properties

494.5
MW (Da)
3.07
ALogP
9
HBA
1
HBD
103.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -terkib
USAN Year 2024

Extended Properties

Molecular Formula C24H24F2N8O2
MW 494.51
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.64

Indications

Neoplasms

Activity Summary

IC50 8 meas. best 9.18
Kd 2 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 1
CHEMBL4040
 Kd 10.3 10.15 0.1 2
Mitogen-activated protein kinase 1
CHEMBL4040
 IC50 9.18 9.18 0.7 1
Mitogen-activated protein kinase; ERK1/ERK2
CHEMBL1907606
 IC50 8.77 8.505 1.7 2
Cyclin-dependent kinase 5/CDK5 activator 1
CHEMBL1907600
 IC50 6.52 6.52 300.0 2
NUAK family SNF1-like kinase 1
CHEMBL5784
 IC50 6.4 6.4 400.0 1
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 IC50 6.0 6.0 1000.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 4.96 4.96 11000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.038 mL.min-1.kg-1 Rattus norvegicus
CL 0.012 mL.min-1.kg-1 Canis lupus familiaris
F 30.0 % Rattus norvegicus
F 100.0 % Canis lupus familiaris
Fu 0.12 - Mus musculus
Fu 0.21 - Rattus norvegicus
Fu 0.44 - Canis lupus familiaris
Fu 0.06 - Homo sapiens
Ka 6.5 10'-5/M/s Homo sapiens
Ka 8.9 10'-5/M/s Homo sapiens
T1/2 3.233 hr Homo sapiens
T1/2 4.617 hr Homo sapiens
T1/2 2.3 hr Rattus norvegicus
T1/2 5.0 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 1 Kd = 0.05012 nM 10.3 Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown orig... 31710489
Mitogen-activated protein kinase 1 Kd = 0.1 nM 10.0 Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR... 31710489
Mitogen-activated protein kinase 1 IC50 = 0.66 nM 9.18 Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrat... 31710489
Mitogen-activated protein kinase; ERK1/ERK2 IC50 = 1.7 nM 8.77 Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphory... 31710489
Mitogen-activated protein kinase; ERK1/ERK2 IC50 = 5.7 nM 8.24 Inhibition of ERK1/2 in human A375 cells assessed as inhibition of RSK phosphory... 31710489
Cyclin-dependent kinase 5/CDK5 activator 1 IC50 = 300.0 nM 6.52 Inhibition of recombinant full length human GST/His-tagged CDK5/p25 expressed in... 31710489
Cyclin-dependent kinase 5/CDK5 activator 1 IC50 = 300.0 nM 6.52 Inhibition of recombinant full length human His-tagged CDK5/p35 expressed in bac... 31710489
NUAK family SNF1-like kinase 1 IC50 = 400.0 nM 6.4 Inhibition of recombinant full length human His-tagged ARK5 expressed in baculov... 31710489
Cyclin-dependent kinase 2/cyclin E1 IC50 = 1000.0 nM 6.0 Inhibition of human full length C-terminal His6-tagged Cdk2/human full length N-... 31710489
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 11000.0 nM 4.96 Inhibition of human ERG 31710489

Literature References

PubMed DOI Target Context # Activities
31710489 10.1021/acs.jmedchem.9b01295 ADMET 16
31710489 10.1021/acs.jmedchem.9b01295 Mitogen-activated protein kinase 1 11
31710489 10.1021/acs.jmedchem.9b01295 Calu-6 3
31710489 10.1021/acs.jmedchem.9b01295 Dual specificity mitogen-activated protein kinase kinase 1 3
31710489 10.1021/acs.jmedchem.9b01295 Cyclin-dependent kinase 5/CDK5 activator 1 3
31710489 10.1021/acs.jmedchem.9b01295 Mitogen-activated protein kinase; ERK1/ERK2 2
31710489 10.1021/acs.jmedchem.9b01295 Mus musculus 2
31710489 10.1021/acs.jmedchem.9b01295 CDK2/Cyclin A1 2
31710489 10.1021/acs.jmedchem.9b01295 Cyclin-dependent kinase 2/cyclin E1 2
31710489 10.1021/acs.jmedchem.9b01295 NUAK family SNF1-like kinase 1 2
31710489 10.1021/acs.jmedchem.9b01295 Mitogen-activated protein kinase 15 2
31710489 10.1021/acs.jmedchem.9b01295 RAF proto-oncogene serine/threonine-protein kinase 2
31710489 10.1021/acs.jmedchem.9b01295 Serine/threonine-protein kinase B-raf 2
31710489 10.1021/acs.jmedchem.9b01295 Dual specificity mitogen-activated protein kinase kinase 2 2
31710489 10.1021/acs.jmedchem.9b01295 No relevant target 2
31710489 10.1021/acs.jmedchem.9b01295 Cyclin-dependent kinase 5 1
31710489 10.1021/acs.jmedchem.9b01295 Mitogen-activated protein kinase 3 1
31710489 10.1021/acs.jmedchem.9b01295 Mitogen-activated protein kinase kinase kinase 8 1
31710489 10.1021/acs.jmedchem.9b01295 CDK2/Cyclin O 1
31710489 10.1021/acs.jmedchem.9b01295 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine