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Compound Detail

CHEMBL4297865

ABIVERTINIB
🧪 Phase III
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🧪 Phase III
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297865
Name ABIVERTINIB
Phase Phase III
Structure Type MOL
InChI Key UOFYSRZSLXWIQB-UHFFFAOYSA-N

Known Names

A610 Abivertinib AC-0010 Ac0010 ACEA100610 Avitinib EX-ACEA0010
12
Targets
18
Activities
1
Assay Types
0
PK Parameters
16
Publications
7
Known Names
3
Indications
3
Mechanisms

Molecular Properties

487.5
MW (Da)
4.51
ALogP
7
HBA
3
HBD
98.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib
USAN Year 2017

Extended Properties

Molecular Formula C26H26FN7O2
MW 487.54
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.53

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Epidermal growth factor receptor ✓ ✓
Tyrosine-protein kinase BTK inhibitor INHIBITOR Tyrosine-protein kinase BTK ✓ ✓
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Epidermal growth factor receptor ✓ ✓

Indications

Carcinoma, Non-Small-Cell Lung Prostatic Neoplasms, Castration-Resistant Severe Acute Respiratory Syndrome

Activity Summary

IC50 18 meas. best 10.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
 IC50 10.04 10.04 0.1 1
Epidermal growth factor receptor
CHEMBL203
 IC50 9.77 8.4433 0.2 6
Tyrosine-protein kinase BTK
CHEMBL5251
 IC50 9.4 9.4 0.4 1
HCC827
CHEMBL4296422
 IC50 7.0 7.0 100.0 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
 IC50 6.75 6.57 177.0 2
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 6.3 6.3 501.0 1
NCI-H1975
CHEMBL614348
 IC50 5.81 5.81 1560.0 1
A549
CHEMBL392
 IC50 5.72 5.72 1920.0 1
Tyrosine-protein kinase JAK1
CHEMBL2835
 IC50 5.49 5.49 3270.0 1
BEAS-2B
CHEMBL4296403
 IC50 5.43 5.43 3680.0 1
NCI-H460
CHEMBL396
 IC50 5.22 5.22 6020.0 1
Unchecked
CHEMBL612545
 IC50 5.12 5.12 7620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK3 IC50 = 0.0911 nM 10.04 Enzymatic Assay: Briefly, specific kinase/substrate pairs along with required co... -
Epidermal growth factor receptor IC50 = 0.17 nM 9.77 Inhibition of wild type EGFR L858R mutant (unknown origin) pretreated with subst... 34315040
Tyrosine-protein kinase BTK IC50 = 0.399 nM 9.4 Enzymatic Assay: Briefly, specific kinase/substrate pairs along with required co... -
Epidermal growth factor receptor IC50 = 0.58 nM 9.24 Inhibition of wild type EGFR C797S mutant (unknown origin) pretreated with subst... 34315040
Epidermal growth factor receptor IC50 = 1.8 nM 8.74 Inhibition of wild type EGFR L858R/T790M mutant (unknown origin) pretreated with... 34315040
Epidermal growth factor receptor IC50 = 2.1 nM 8.68 Inhibition of wild type EGFR Del E746/A750 mutant (unknown origin) pretreated wi... 34315040
Epidermal growth factor receptor IC50 = 21.0 nM 7.68 Inhibition of wild type EGFR (unknown origin) pretreated with substrate for 10 m... 34315040
HCC827 IC50 = 100.0 nM 7.0 Cytotoxicity against human HCC827 cells harboring EGFR del E746-A750 mutant asse... 34315040
Leucine-rich repeat serine/threonine-protein kinase 2 IC50 = 177.0 nM 6.75 Inhibition of LRRK2 (unknown origin) 37201428
Epidermal growth factor receptor IC50 = 279.0 nM 6.55 Inhibition of wild type EGFR L858R/T790M/C797S mutant (unknown origin) pretreate... 34315040
Leucine-rich repeat serine/threonine-protein kinase 2 IC50 = 410.3 nM 6.39 Inhibition of LRRK2 G2019S mutant (unknown origin) 37201428
Tyrosine-protein kinase JAK2 IC50 = 501.0 nM 6.3 Enzymatic Assay: Briefly, specific kinase/substrate pairs along with required co... -
NCI-H1975 IC50 = 1560.0 nM 5.81 Cytotoxicity against human NCI-H1975 cells harboring EGFR L858R/T790M mutant ass... 34315040
A549 IC50 = 1920.0 nM 5.72 Cytotoxicity against human A549 cells harboring wild type EGFR assessed as reduc... 34315040
Tyrosine-protein kinase JAK1 IC50 = 3270.0 nM 5.49 Enzymatic Assay: Briefly, specific kinase/substrate pairs along with required co... -
BEAS-2B IC50 = 3680.0 nM 5.43 Cytotoxicity against human BEAS-2B cells assessed as reduction in cell viability... 34315040
NCI-H460 IC50 = 6020.0 nM 5.22 Cytotoxicity against human NCI-H460 cells harboring wild type EGFR assessed as r... 34315040
Unchecked IC50 = 7620.0 nM 5.12 Cytotoxicity against human HBE cells assessed as reduction in cell viability mea... 34315040

Literature References

PubMed DOI Target Context # Activities
34315040 10.1016/j.ejmech.2021.113711 HCC827 20
34315040 10.1016/j.ejmech.2021.113711 NCI-H1975 20
34315040 10.1016/j.ejmech.2021.113711 Epidermal growth factor receptor 20
34315040 10.1016/j.ejmech.2021.113711 A549 10
34315040 10.1016/j.ejmech.2021.113711 Unchecked 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
34315040 10.1016/j.ejmech.2021.113711 Ribosomal protein S6 kinase beta-1 2
37201428 10.1016/j.ejmech.2023.115475 Leucine-rich repeat serine/threonine-protein kinase 2 2
30999237 10.1016/j.ejmech.2019.03.055 Tyrosine-protein kinase ITK/TSK 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
34315040 10.1016/j.ejmech.2021.113711 BEAS-2B 1
34315040 10.1016/j.ejmech.2021.113711 NCI-H460 1
34315040 10.1016/j.ejmech.2021.113711 Mitogen-activated protein kinase; ERK1/ERK2 1
34315040 10.1016/j.ejmech.2021.113711 MAP kinase p38 1
34315040 10.1016/j.ejmech.2021.113711 Signal transducer and activator of transcription 3 1

Data from ChEMBL 36 via Core Engine