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Compound Detail

CHEMBL3663929

NAQUOTINIB
🧪 Phase III
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🧪 Phase III
C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3663929
Name NAQUOTINIB
Phase Phase III
Structure Type MOL
InChI Key QKDCLUARMDUUKN-XMMPIXPASA-N

Known Names

ASP-8273 ASP8273 Naquotinib
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names
2
Indications
1
Mechanisms

Molecular Properties

562.7
MW (Da)
2.26
ALogP
9
HBA
2
HBD
120.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -tinib
USAN Year 2015

Extended Properties

Molecular Formula C30H42N8O3
MW 562.72
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -1.12

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Epidermal growth factor receptor ✓ ✓

Indications

Carcinoma, Non-Small-Cell Lung Neoplasms

Activity Summary

IC50 7 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 8.77 8.0229 1.7 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 1.7 nM 8.77 Inhibition Assay: The phosphorylation activity on the peptide substrate of EGFR ... -
Epidermal growth factor receptor IC50 = 4.5 nM 8.35 Inhibition Assay: The phosphorylation activity on the peptide substrate of EGFR ... -
Epidermal growth factor receptor IC50 = 8.0 nM 8.1 Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cells assessed a... 26968253
Epidermal growth factor receptor IC50 = 8.0 nM 8.1 Inhibition of EGFR Del ex19 mutant in human HCC827 cells assessed as suppression... 26968253
Epidermal growth factor receptor IC50 = 8.0 nM 8.1 Inhibition of EGFR Del ex19 mutant in human PC9 cells assessed as suppression of... 26968253
Epidermal growth factor receptor IC50 = 8.0 nM 8.1 Inhibition of EGFR Del ex19/T790M double mutant in human PC9 cells assessed as s... 26968253
Epidermal growth factor receptor IC50 = 230.0 nM 6.64 Inhibition of wild type EGFR in human NCI-H1666 cells assessed as suppression of... 26968253

Literature References

PubMed DOI Target Context # Activities
26968253 10.1016/j.bmcl.2016.02.067 Epidermal growth factor receptor 5

Data from ChEMBL 36 via Core Engine