VARLITINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 846Y8197W1

Structure
InChI Key UWXSAYUXVSFDBQ-CYBMUJFWSA-N
Smile C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
InChI
InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19ClN6O2S
Molecular Weight 466.95
AlogP 5.25
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 93.55
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 2-2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cholangiocarcinoma 2 D018281 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 845272-21-1
ChEMBL CHEMBL2103842
DrugBank DB05944
FDA SRS 846Y8197W1
Guide to Pharmacology 7645
PubChem 42642648
SureChEMBL SCHEMBL1384578
ZINC ZINC000013980035
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