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Compound Detail

CHEMBL4439259

AZD-7648
Phase I
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Phase I
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439259
Name AZD-7648
Phase Phase I
Structure Type MOL
InChI Key XISVSTPEXYIKJL-UHFFFAOYSA-N

Known Names

Azd-7648 Azd7648
18
Targets
47
Activities
1
Assay Types
30
PK Parameters
20
Publications
2
Known Names
1
Indications

Molecular Properties

380.4
MW (Da)
1.58
ALogP
10
HBA
1
HBD
104.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Chemical Probe

Extended Properties

Molecular Formula C18H20N8O2
MW 380.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.55

Indications

Neoplasms

Activity Summary

IC50 47 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.22 7.2575 0.6 4
DNA-dependent protein kinase catalytic subunit
CHEMBL3142
 IC50 9.22 8.4757 0.6 14
HCT-116
CHEMBL394
 IC50 7.42 5.5267 38.1 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
 IC50 7.28 6.5833 52.0 3
Jurkat
CHEMBL397
 IC50 7.05 5.98 90.0 2
PI3-kinase p110-alpha/p85-alpha
CHEMBL2111367
 IC50 7.0 7.0 100.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
 IC50 6.73 5.8667 186.8 3
PI3-kinase p110-delta/p85-alpha
CHEMBL2111432
 IC50 6.12 6.12 760.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
 IC50 6.01 5.76 973.2 2
PI3K p110 beta/p85 alpha
CHEMBL3038510
 IC50 5.92 5.92 1200.0 1
Serine/threonine-protein kinase mTOR
CHEMBL2842
 IC50 5.86 5.86 1370.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL2189158
 IC50 5.86 5.86 1370.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
CHEMBL3145
 IC50 5.8 5.605 1568.0 2
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 5.5 5.5 3162.3 1
Dual specificity protein kinase TTK
CHEMBL3983
 IC50 5.3 5.3 5011.9 3
CT26
CHEMBL613866
 IC50 5.17 4.95 6740.0 2
B16-F10
CHEMBL612656
 IC50 4.94 4.705 11400.0 2
Serine-protein kinase ATM
CHEMBL3797
 IC50 4.75 4.75 17900.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 5238.46 ng.hr.mL-1 Rattus norvegicus
AUC 2458.98 ng.hr.mL-1 Rattus norvegicus
AUC 3148.64 ng.hr.mL-1 Rattus norvegicus
CL 29.0 mL.min-1.kg-1 Rattus norvegicus
CL 4.0 mL.min-1.kg-1 Canis lupus familiaris
CL 10.0 % Rattus norvegicus
CL 1.1 % Canis lupus familiaris
CL 9.6 mL.min-1.g-1 Homo sapiens
CL 9.6 mL.min-1.g-1 Rattus norvegicus
CL 6.4 mL.min-1.g-1 Homo sapiens
CL 13.8 mL.min-1.g-1 Homo sapiens
CL 105.67 mL.min-1.kg-1 Rattus norvegicus
CL 26.67 mL.min-1.kg-1 Rattus norvegicus
Cmax 3940.49 nM Rattus norvegicus
Cmax 2198.68 nM Rattus norvegicus
Cmax 6892.56 nM Rattus norvegicus
F 104.0 % Rattus norvegicus
F 93.0 % Canis lupus familiaris
F 78.1 % Rattus norvegicus
Fu 0.76 - Homo sapiens
Fu 0.65 - Rattus norvegicus
Fu 0.79 - Canis lupus familiaris
Fu 0.653 - Rattus norvegicus
Fu 0.834 - Homo sapiens
MRT 2.51 hr Rattus norvegicus
T1/2 2.417 hr Homo sapiens
T1/2 2.417 hr Rattus norvegicus
T1/2 1.14 hr Rattus norvegicus
T1/2 1.673 hr Homo sapiens
T1/2 1.99 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA-dependent protein kinase catalytic subunit IC50 = 0.6 nM 9.22 Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using... 31851518
DNA-dependent protein kinase catalytic subunit IC50 = 0.6 nM 9.22 Inhibition of DNA-PK (unknown origin) using EPPLSQEAFADLWKK peptide as substrate... 35978693
DNA-dependent protein kinase catalytic subunit IC50 = 0.6 nM 9.22 Inhibition of DNA-PK (unknown origin) 35051747
Unchecked IC50 = 0.6 nM 9.22 Inhibition of DNA-PK (unknown origin) 33135887
DNA-dependent protein kinase catalytic subunit IC50 = 0.631 nM 9.2 Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using... 31851518
DNA-dependent protein kinase catalytic subunit IC50 = 0.631 nM 9.2 DNAPK Enzyme Potency Assay (DNA-PK Enz): The inhibitory activity of compounds ag... -
DNA-dependent protein kinase catalytic subunit IC50 = 0.7 nM 9.15 Inhibition of AlexaFluor-labeled tracer 236 binding to human untagged DNA-PK exp... 31851518
DNA-dependent protein kinase catalytic subunit IC50 = 1.0 nM 9.0 Inhibition of human DNA-PK incubated for 30 mins in presence of Mg/ATP by HTRF m... 38117951
DNA-dependent protein kinase catalytic subunit IC50 = 1.2 nM 8.92 Inhibition of human full-length DNA-PK using EPPLSQEAFADLWKK as substrate incuba... 38587857
DNA-dependent protein kinase catalytic subunit IC50 = 1.58 nM 8.8 Inhibition of human native full length DNA-PK by ADP-Glo assay 35468512
DNA-dependent protein kinase catalytic subunit IC50 = 2.53 nM 8.6 Inhibition of human DNA-PK using EPPLSQEAFADLWK as substrate in presence of ATP ... 39007759
HCT-116 IC50 = 38.08 nM 7.42 Inhibition of colony formation in human HCT-116 cells preincubated with compound... 38117951
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 52.0 nM 7.28 Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant full-length h... 31851518
Unchecked IC50 = 57.0 nM 7.24 Induction of radiosensitization against human HAP1 cells assessed as potentiatio... 39007759
Unchecked IC50 = 61.0 nM 7.21 Induction of radiosensitization against human HCT116/54C cells assessed as poten... 39007759
DNA-dependent protein kinase catalytic subunit IC50 = 90.0 nM 7.05 Inhibition of DNA-PK in human A549 cells assessed as reduction in radiation-indu... 33135887
Jurkat IC50 = 90.0 nM 7.05 Synergistic antiproliferative activity against human Jurkat cells assessed as re... 38587857
DNA-dependent protein kinase catalytic subunit IC50 = 91.0 nM 7.04 Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-in... 31851518
DNA-dependent protein kinase catalytic subunit IC50 = 92.0 nM 7.04 Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-in... 35978693
DNA-dependent protein kinase catalytic subunit IC50 = 100.0 nM 7.0 Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-in... 31851518

Literature References

PubMed DOI Target Context # Activities
31851518 10.1021/acs.jmedchem.9b01684 ADMET 21
35468512 10.1016/j.ejmech.2022.114401 HCT-116 17
35468512 10.1016/j.ejmech.2022.114401 ADMET 14
31851518 10.1021/acs.jmedchem.9b01684 Unchecked 13
38117951 10.1021/acs.jmedchem.3c01338 ADMET 13
39007759 10.1021/acs.jmedchem.4c01120 Unchecked 12
33135887 10.1021/acs.jmedchem.0c00766 Unchecked 11
- 10.6019/CHEMBL5303304 HEK-293T 7
- 10.6019/CHEMBL5303304 Fibroblast 5
35051747 10.1016/j.ejmech.2022.114109 Unchecked 5
31851518 10.1021/acs.jmedchem.9b01684 DNA-dependent protein kinase catalytic subunit 5
38117951 10.1021/acs.jmedchem.3c01338 Unchecked 4
38587857 10.1021/acs.jmedchem.3c02231 Jurkat 4
35468512 10.1016/j.ejmech.2022.114401 Unchecked 4
35468512 10.1016/j.ejmech.2022.114401 HL-60 4
31851518 10.1021/acs.jmedchem.9b01684 No relevant target 4
35468512 10.1016/j.ejmech.2022.114401 No relevant target 3
31851518 10.1021/acs.jmedchem.9b01684 Cytochrome P450 3
38117951 10.1021/acs.jmedchem.3c01338 DNA-dependent protein kinase catalytic subunit 3
31851518 10.1021/acs.jmedchem.9b01684 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 3

Data from ChEMBL 36 via Core Engine