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Compound Detail

CHEMBL3786343

OLMUTINIB
💊 Approved Drug
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💊 Approved Drug
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786343
Name OLMUTINIB
Phase Approved
Structure Type MOL
InChI Key FDMQDKQUTRLUBU-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

BI 1482694 BI-1482694 Hm-61713 HM61713 Olmutinib
10
Targets
28
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
2
Indications
1
Mechanisms

Molecular Properties

486.6
MW (Da)
5.10
ALogP
8
HBA
2
HBD
82.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2016
Availability Unknown
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -tinib
USAN Year 2016

Extended Properties

Molecular Formula C26H26N6O2S
MW 486.60
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.77

Mechanism of Action

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

Indications

Neoplasms Carcinoma, Non-Small-Cell Lung

ATC Classification

L01EB06
olmutinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 28 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 9.05 7.721 0.9 10
Tyrosine-protein kinase BTK
CHEMBL5251
 IC50 9.0 9.0 1.0 1
Unchecked
CHEMBL612545
 IC50 7.9 7.61 12.7 2
L02
CHEMBL4296457
 IC50 7.58 5.5867 26.0 3
A549
CHEMBL392
 IC50 7.55 6.0967 28.0 3
NCI-H1975
CHEMBL614348
 IC50 6.28 5.86 520.0 3
A-431
CHEMBL614069
 IC50 5.28 5.28 5290.0 1
MCF7
CHEMBL387
 IC50 5.16 5.16 6900.0 2
HeLa
CHEMBL399
 IC50 5.03 5.03 9270.0 2
PC-9
CHEMBL614102
 IC50 4.78 4.78 16510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 0.9 nM 9.05 Inhibition of N-terminal GST-fused human EGFR L858R/T790M double mutant cytoplas... 32402937
Tyrosine-protein kinase BTK IC50 = 1.0 nM 9.0 Inhibition of BTK (unknown origin) 27210433
Epidermal growth factor receptor IC50 = 9.2 nM 8.04 Inhibition of EGFR DEL19 mutant in human HCC827 cells 33540357
Epidermal growth factor receptor IC50 = 9.2 nM 8.04 Inhibition of EGFR (unknown origin) 38908102
Epidermal growth factor receptor IC50 = 10.0 nM 8.0 Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cells assessed a... 26968253
Epidermal growth factor receptor IC50 = 10.0 nM 8.0 Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cells 33540357
Unchecked IC50 = 12.7 nM 7.9 Inhibition of EGFR T790M/L858R double mutant (unknown origin) using FAM-labelled... 32679450
Epidermal growth factor receptor IC50 = 12.7 nM 7.9 Inhibition of EGFR T790M/L858R mutant (unknown origin) using FAM-labelled peptid... 32912435
Epidermal growth factor receptor IC50 = 18.0 nM 7.75 Inhibition of EGFR exon 19 deletion and L858R mutant phosphorylation in human NC... 29631132
L02 IC50 = 26.0 nM 7.58 Cytotoxicity against human L0-2 cells assessed as reduction in cell viability me... 32402937
A549 IC50 = 28.0 nM 7.55 Antiproliferative activity against human A549 cells harboring wild type EGFR ass... 32402937
Epidermal growth factor receptor IC50 = 39.0 nM 7.41 Inhibition of N-terminal GST-fused human wild type EGFR cytoplasmic domain (669 ... 32402937
Unchecked IC50 = 48.0 nM 7.32 Inhibition of EGFR T790M mutant (unknown origin) using FAM-labelled peptide as s... 32679450
Epidermal growth factor receptor IC50 = 48.0 nM 7.32 Inhibition of EGFR T790M mutant (unknown origin) using FAM-labelled peptide as s... 32912435
NCI-H1975 IC50 = 520.5 nM 6.28 Antiproliferative activity against human NCI-H1975 cells harboring EGFR T790M/L8... 32679450
NCI-H1975 IC50 = 520.0 nM 6.28 Antiproliferation activity against human NCI-H1975 cells harboring EGFR T790M/L8... 32912435
Epidermal growth factor receptor IC50 = 2000.0 nM 5.7 Inhibition of wild type EGFR phosphorylation in human H358 cells 29631132
A549 IC50 = 4290.0 nM 5.37 Antiproliferative activity against human A549 cells assessed as inhibition of ce... 32679450
A549 IC50 = 4290.0 nM 5.37 Antiproliferation activity against human A549 cells assessed as reduction in cel... 32912435
A-431 IC50 = 5290.0 nM 5.28 Antiproliferative activity against human A-431 cells assessed as inhibition of c... 32679450

Literature References

PubMed DOI Target Context # Activities
32679450 10.1016/j.ejmech.2020.112511 Unchecked 7
32912435 10.1016/j.bmc.2020.115669 Epidermal growth factor receptor 6
32912435 10.1016/j.bmc.2020.115669 NCI-H1975 5
32679450 10.1016/j.ejmech.2020.112511 A-431 5
32912435 10.1016/j.bmc.2020.115669 A549 4
32679450 10.1016/j.ejmech.2020.112511 NCI-H1975 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
32912435 10.1016/j.bmc.2020.115669 Unchecked 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
32402937 10.1016/j.ejmech.2020.112388 Epidermal growth factor receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
32679450 10.1016/j.ejmech.2020.112511 Epidermal growth factor receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
29631132 10.1016/j.ejmech.2018.03.062 Epidermal growth factor receptor 2
33540357 10.1016/j.ejmech.2021.113218 Epidermal growth factor receptor 2
32679450 10.1016/j.ejmech.2020.112511 Hepatocyte growth factor receptor 1
32679450 10.1016/j.ejmech.2020.112511 MCF7 1
38908102 10.1016/j.ejmech.2024.116607 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine