Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2364611

GALUNISERTIB
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1

Basic Information

ChEMBL ID CHEMBL2364611
Name GALUNISERTIB
Phase Phase II
Structure Type MOL
InChI Key IVRXNBXKWIJUQB-UHFFFAOYSA-N

Known Names

Galunisertib Ly-2157299 LY2157299
16
Targets
40
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
12
Indications
1
Mechanisms

Molecular Properties

369.4
MW (Da)
3.51
ALogP
5
HBA
1
HBD
86.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -sertib
USAN Year 2012

Extended Properties

Molecular Formula C22H19N5O
MW 369.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.07

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
TGF-beta receptor type I inhibitor INHIBITOR TGF-beta receptor type-1

Indications

Carcinoma, Hepatocellular Glioblastoma Myelodysplastic Syndromes Nasopharyngeal Carcinoma Prostatic Neoplasms, Castration-Resistant Rectal Neoplasms Neoplasm Metastasis Neoplasms Pancreatic Neoplasms Pancreatic Neoplasms Paraganglioma Triple Negative Breast Neoplasms

Activity Summary

IC50 28 meas. best 8.39
Kd 12 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 8.39 7.1327 4.1 15
Receptor-interacting serine/threonine-protein kinase 3
CHEMBL1795199
Kd 7.96 7.96 11.0 1
Activin receptor type-1B
CHEMBL5310
Kd 7.8 7.8 16.0 1
Misshapen-like kinase 1
CHEMBL5518
Kd 7.75 7.75 18.0 1
Receptor-interacting serine/threonine-protein kinase 2
CHEMBL5014
Kd 7.42 7.42 38.0 1
Receptor-interacting serine/threonine-protein kinase 2
CHEMBL5014
IC50 7.36 7.36 44.0 1
Transforming growth factor beta-2 proprotein
CHEMBL3217393
IC50 7.25 7.25 56.0 1
TGF-beta receptor type-1
CHEMBL4439
Kd 7.1 7.1 79.0 1
Activin receptor type-1B
CHEMBL5310
IC50 6.7 6.7 199.0 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
IC50 6.58 6.565 263.1 2
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.39 6.3233 405.0 6
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.36 6.36 442.0 1
Cyclin-G-associated kinase
CHEMBL4355
Kd 6.3 6.3 495.0 1
TRAF2 and NCK-interacting protein kinase
CHEMBL4527
Kd 5.92 5.92 1208.0 1
TGF-beta receptor type-2
CHEMBL4267
IC50 5.89 5.89 1300.0 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Kd 5.77 5.77 1693.0 1
Casein kinase I isoform epsilon
CHEMBL4937
Kd 5.1 5.1 7903.0 1
Atypical kinase COQ8A, mitochondrial
CHEMBL5550
Kd 4.91 4.91 12248.0 1
Casein kinase I isoform delta
CHEMBL2828
Kd 4.79 4.79 16150.0 1
Casein kinase I isoform alpha
CHEMBL2793
Kd 4.71 4.71 19352.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 4.1 nM 8.39 Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect ce... 29422332
Receptor-interacting serine/threonine-protein kinase 3 Kd = 11.0 nM 7.96 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Activin receptor type-1B Kd = 16.0 nM 7.8 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Misshapen-like kinase 1 Kd = 18.0 nM 7.75 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Receptor-interacting serine/threonine-protein kinase 2 Kd = 38.0 nM 7.42 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Receptor-interacting serine/threonine-protein kinase 2 IC50 = 44.0 nM 7.36 Inhibition of RIPK2 (unknown origin) by radioisotopic assay 24786585
TGF-beta receptor type-1 IC50 = 50.1 nM 7.3 Inhibition of ALK5 (unknown origin) incubated for 2 hrs in presence of ATP by AD... 38626523
TGF-beta receptor type-1 IC50 = 51.0 nM 7.29 Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate... 28135685
TGF-beta receptor type-1 IC50 = 56.0 nM 7.25 Inhibition of TGFbetaR1 (unknown origin) 38626523
Transforming growth factor beta-2 proprotein IC50 = 56.0 nM 7.25 Inhibition of TGF-beta (unknown origin) 30125720
TGF-beta receptor type-1 IC50 = 56.0 nM 7.25 Inhibition of TGFBR1 (unknown origin) 30530193
TGF-beta receptor type-1 IC50 = 56.0 nM 7.25 Inhibition of TbetaR-1 (unknown origin) 32092587
TGF-beta receptor type-1 IC50 = 69.4 nM 7.16 Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 insect cells usi... 26483198
TGF-beta receptor type-1 Kd = 79.0 nM 7.1 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
TGF-beta receptor type-1 IC50 = 119.0 nM 6.92 Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells us... 31299584
TGF-beta receptor type-1 IC50 = 119.0 nM 6.92 Inhibition of recombinant GST-tagged human ALK5 expressed in baculovirus infecte... 31810777
TGF-beta receptor type-1 IC50 = 119.0 nM 6.92 Inhibition of ALK5 (unknown origin) 38508118
TGF-beta receptor type-1 IC50 = 126.6 nM 6.9 Inhibition of human TGFbeta receptor 1 in human HEK293 cells preincubated for 24... 34419892
TGF-beta receptor type-1 IC50 = 129.0 nM 6.89 Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells us... 31303386
TGF-beta receptor type-1 IC50 = 129.0 nM 6.89 Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected... 33677350

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 U2OS 10
31810777 10.1016/j.bmcl.2019.126822 HCT-116 9
31752957 10.1186/s13058-019-1216-y MDA-MB-231 9
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
31752957 10.1186/s13058-019-1216-y WD repeat-containing protein 5 6
- 10.6019/CHEMBL5303304 HEK-293T 5
29191878 10.1126/science.aan4368 Unchecked 4
24786585 10.1021/jm500115w Unchecked 3
31299584 10.1016/j.ejmech.2019.07.013 TGF-beta receptor type-1 3
31752957 10.1186/s13058-019-1216-y Unchecked 3
31303386 10.1016/j.bmcl.2019.07.015 TGF-beta receptor type-1 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 3
33677350 10.1016/j.ejmech.2021.113311 Unchecked 3
24786585 10.1021/jm500115w B16 3
34419892 10.1016/j.ejmech.2021.113763 Mitogen-activated protein kinase kinase kinase kinase 4 2
34246853 10.1016/j.ejmech.2021.113660 TGF-beta receptor type-1 2
31810777 10.1016/j.bmcl.2019.126822 Mitogen-activated protein kinase 14 2
- 10.6019/CHEMBL3301361 No relevant target 2
24786585 10.1021/jm500115w TGF-beta receptor type-1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine