GALUNISERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3OKH1W5LZE

Structure
InChI Key IVRXNBXKWIJUQB-UHFFFAOYSA-N
Smile Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1
InChI
InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19N5O
Molecular Weight 369.43
AlogP 3.51
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 86.69
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR TGF-beta receptor type I inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group
- - 12248 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 16150 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 405-783 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 495 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- 263.15-280 1208 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- 44 38 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 4.1-290 16 - 73-100
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- 1300 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group
- 4.1-290 11 - 73-100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 442 - - -
Enzyme Transferase
- - - - -0.8118-25.84
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -9.04-0
Secreted protein
- 56 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Nasopharyngeal Carcinoma 2 D000077274 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Triple Negative Breast Neoplasms 1 D064726 ClinicalTrials
Neoplasm Metastasis 1 D009362 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Paraganglioma 1 D010235 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 137064
ChEMBL CHEMBL2364611
DrugBank DB11911
EPA CompTox DTXSID00220362
FDA SRS 3OKH1W5LZE
Guide to Pharmacology 7797
SureChEMBL SCHEMBL12922153
ZINC ZINC000003959536
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