NAZARTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KE7K32EME8

Structure
InChI Key IOMMMLWIABWRKL-WUTDNEBXSA-N
Smile Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1
InChI
InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H31ClN6O2
Molecular Weight 495.03
AlogP 4.32
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 83.36
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor Other ClinicalTrials DOI
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 7000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 4-161 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Bronchial Neoplasms 1 D001984 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3787344
DrugBank DB16250
FDA SRS KE7K32EME8
Guide to Pharmacology 9204
PubChem 72703790
SureChEMBL SCHEMBL16767232
ZINC ZINC000210610738
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