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Compound Detail

CHEMBL4169078

SRA-737
Phase I
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Phase I
N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(C(F)(F)F)cn2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169078
Name SRA-737
Phase Phase I
Structure Type MOL
InChI Key YBYYWUUUGCNAHQ-LLVKDONJSA-N

Known Names

CCT-245737 CCT245737 CCT245737 FREE BASE PNT-737 PNT737 Sra 737 Sra-737 Sra737
20
Targets
46
Activities
2
Assay Types
30
PK Parameters
20
Publications
8
Known Names
1
Indications

Molecular Properties

379.4
MW (Da)
1.91
ALogP
8
HBA
3
HBD
107.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C16H16F3N7O
MW 379.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.89

Indications

Lymphoma, Non-Hodgkin

Activity Summary

IC50 45 meas. best 8.89
EC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
 IC50 8.89 8.0393 1.3 14
MV4-11
CHEMBL613835
 IC50 8.37 6.97 4.3 4
Serine/threonine-protein kinase Chk1
CHEMBL4630
 EC50 7.52 7.52 30.0 1
Mitogen-activated protein kinase 15
CHEMBL5198
 IC50 6.89 6.89 130.0 2
HT-29
CHEMBL384
 IC50 6.75 6.75 176.6 1
Serine/threonine-protein kinase D1
CHEMBL3863
 IC50 6.53 6.53 298.0 1
Ribosomal protein S6 kinase alpha-1
CHEMBL2553
 IC50 6.44 6.44 362.0 2
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
 IC50 6.44 6.44 361.0 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 6.24 6.0575 582.0 4
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
 IC50 6.16 6.16 698.0 1
NUAK family SNF1-like kinase 1
CHEMBL5784
 IC50 6.15 6.15 711.0 2
Serine/threonine-protein kinase Chk2
CHEMBL2527
 IC50 5.9 5.755 1260.0 2
Dual specificity protein kinase CLK2
CHEMBL4225
 IC50 5.86 5.86 1370.0 2
Serine/threonine-protein kinase BRSK1
CHEMBL5650
 IC50 5.78 5.78 1660.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 5.68 5.68 2100.0 1
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1
CHEMBL2111345
 IC50 5.53 5.53 2970.0 1
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform
CHEMBL4004
 IC50 5.46 5.46 3470.0 1
Unchecked
CHEMBL612545
 IC50 5.42 5.42 3850.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 5.21 5.21 6200.0 1
Cyclin-dependent kinase 1/cyclin B1
CHEMBL1907602
 IC50 5.04 5.04 9030.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 IC50 4.8 4.8 15800.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 3770.74 ng.hr.mL-1 Mus musculus
AUC 3945.24 ng.hr.mL-1 Mus musculus
AUC 99389.7 ng.hr.mL-1 Mus musculus
AUC 84215.7 ng.hr.mL-1 Mus musculus
AUC 3778.33 ng.hr.mL-1 Mus musculus
AUC 3945.24 ng.hr.mL-1 Mus musculus
AUC 99389.7 ng.hr.mL-1 Mus musculus
AUC 84595.05 ng.hr.mL-1 Mus musculus
CL 44.17 mL.min-1.kg-1 Mus musculus
CL 58.33 mL.min-1.kg-1 Rattus norvegicus
CL 35.33 mL.min-1.kg-1 Mus musculus
CL 36.0 mL.min-1.kg-1 Mus musculus
Cmax 30100.0 nM Mus musculus
Cmax 1620.0 nM Mus musculus
Cmax 44700.0 nM Mus musculus
Cmax 4000.0 nM Mus musculus
F 105.0 % Mus musculus
F 38.0 % Rattus norvegicus
F 105.0 % Mus musculus
Fu 0.0019 - Mus musculus
Fu 0.0021 - Homo sapiens
T1/2 2.9 hr Mus musculus
T1/2 2.86 hr Mus musculus
T1/2 2.85 hr Mus musculus
T1/2 2.76 hr Mus musculus
T1/2 3.11 hr Mus musculus
Tmax 0.083 hr Mus musculus
Tmax 1.0 hr Mus musculus
Tmax 0.5 hr Mus musculus
Tmax 1.0 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Chk1 IC50 = 1.3 nM 8.89 Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH pep... 27167172
Serine/threonine-protein kinase Chk1 IC50 = 1.3 nM 8.89 Affinity Biochemical interaction (Microfluid assay (CALIPER)) EUB0000636a CHEK1 -
Serine/threonine-protein kinase Chk1 IC50 = 1.3 nM 8.89 Selectivity interaction (Kinase panel (Dundee, Z’-Lyte assay)) EUB0000636a CHEK1 -
Serine/threonine-protein kinase Chk1 IC50 = 1.4 nM 8.85 Inhibition of recombinant human CHK1 by microfluidic assay 26295308
Serine/threonine-protein kinase Chk1 IC50 = 1.4 nM 8.85 Caliper Assay: CHK1 kinase activity was measured in a microfluidic assay that mo... -
Serine/threonine-protein kinase Chk1 IC50 = 2.0 nM 8.7 Inhibition of CHK1 (unknown origin) using Cdc25 peptide as substrate preincubate... 29684894
Serine/threonine-protein kinase Chk1 IC50 = 4.31 nM 8.37 Inhibition of CHK1 (unknown origin) preincubated with compound for 10 mins follo... 38547734
MV4-11 IC50 = 4.31 nM 8.37 Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... 38547734
Serine/threonine-protein kinase Chk1 IC50 = 25.71 nM 7.59 Inhibition of CHK1 (unknown origin) using peptide substrate incubated for 1 hrs ... 38389894
Serine/threonine-protein kinase Chk1 IC50 = 28.9 nM 7.54 Inhibition of CHK1 (unknown origin) using peptide substrate S1 and ATP as substr... 37584545
Serine/threonine-protein kinase Chk1 EC50 = 30.0 nM 7.52 Affinity Phenotypic Cellular interaction (Abrogation of VP-16-induced G2 checkpo... -
Serine/threonine-protein kinase Chk1 IC50 = 30.0 nM 7.52 Inhibition of CHK1 in etoposide-induced human HT-29 cells assessed as G2 checkpo... 26295308
Serine/threonine-protein kinase Chk1 IC50 = 30.0 nM 7.52 Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-indu... 27167172
Serine/threonine-protein kinase Chk1 IC50 = 63.0 nM 7.2 Inhibition of CHK1 in etoposide-induced human MIA PaCa-2 cells assessed as G2 ch... 26295308
Serine/threonine-protein kinase Chk1 IC50 = 84.0 nM 7.08 Inhibition of CHK1 in etoposide-induced human Calu-6 cells assessed as G2 checkp... 26295308
Mitogen-activated protein kinase 15 IC50 = 130.0 nM 6.89 Selectivity interaction (Kinase panel (Dundee, Z’-Lyte assay)) EUB0000636a MAPK1... -
Mitogen-activated protein kinase 15 IC50 = 130.0 nM 6.89 Inhibition of human ERK8 in presence of ATP by by radiometric kinase assay 26295308
HT-29 IC50 = 176.62 nM 6.75 Synergistic antiproliferative activity against human HT-29 cells assessed as inh... 38547734
MV4-11 IC50 = 211.13 nM 6.67 Antiproliferative activity against human MV4-11 cells expressing FLT3 ITD/TKD mu... 38389894
Serine/threonine-protein kinase Chk1 IC50 = 220.0 nM 6.66 Inhibition of CHK1 in etoposide-induced human SW620 cells assessed as G2 checkpo... 26295308

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4689842 HEK-293T 262
- 10.6019/CHEMBL4689842 U2OS 262
- 10.6019/CHEMBL4689842 Fibroblast 260
26295308 10.18632/oncotarget.4919 ADMET 41
26295308 10.18632/oncotarget.4919 Unchecked 35
26295308 10.18632/oncotarget.4919 Serine/threonine-protein kinase Chk1 23
26295308 10.18632/oncotarget.4919 HT-29 23
27167172 10.1021/acs.jmedchem.5b01938 ADMET 20
27167172 10.1021/acs.jmedchem.5b01938 Unchecked 12
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
26295308 10.18632/oncotarget.4919 SW-620 9
26295308 10.18632/oncotarget.4919 Calu-6 7
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
26295308 10.18632/oncotarget.4919 MIA PaCa-2 5
26295308 10.18632/oncotarget.4919 Serine/threonine-protein kinase Chk2 4
27167172 10.1021/acs.jmedchem.5b01938 No relevant target 4
26295308 10.18632/oncotarget.4919 Ribosomal protein S6 kinase alpha-1 3
38547734 10.1016/j.ejmech.2024.116351 MV4-11 3
27167172 10.1021/acs.jmedchem.5b01938 Serine/threonine-protein kinase Chk1 3

Data from ChEMBL 36 via Core Engine