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Compound Detail

CHEMBL3545376

ERDAFITINIB
💊 Approved Drug
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💊 Approved Drug
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545376
Name ERDAFITINIB
Phase Approved
Structure Type MOL
InChI Key OLAHOMJCDNXHFI-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Balversa Erdafitinib Jnj-42756493
20
Targets
82
Activities
1
Assay Types
1
PK Parameters
20
Publications
3
Known Names
17
Indications
1
Mechanisms

Molecular Properties

446.6
MW (Da)
4.18
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2019
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product First in Class
USAN Stem -tinib
USAN Year 2016

Extended Properties

Molecular Formula C25H30N6O2
MW 446.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.30

Mechanism of Action

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

Indications

Carcinoma, Transitional Cell Neoplasms Neoplasms Urinary Bladder Neoplasms Urinary Bladder Neoplasms Urinary Bladder Neoplasms Carcinoma, Non-Small-Cell Lung Carcinoma, Squamous Cell Multiple Myeloma Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms, Castration-Resistant Breast Neoplasms Carcinoma, Hepatocellular Liver Diseases Lymphoma

ATC Classification

L01EN01
erdafitinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 82 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL3337
 IC50 10.0 10.0 0.1 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 9.6 8.4089 0.2 9
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 9.38 8.4971 0.4 14
SNU-16
CHEMBL613529
 IC50 9.15 8.9567 0.7 3
Unchecked
CHEMBL612545
 IC50 8.96 8.2388 1.1 8
RT-112
CHEMBL614145
 IC50 8.89 7.622 1.3 5
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.82 8.3044 1.5 9
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.7 8.2989 2.0 9
KG-1
CHEMBL612264
 IC50 8.68 8.68 2.1 1
CC-LP-1
CHEMBL6066762
 IC50 8.64 7.3725 2.3 4
RT112/84
CHEMBL6066783
 IC50 8.44 7.055 3.6 2
KATO III stomach cancer cell line
CHEMBL612700
 IC50 8.4 8.4 4.0 1
RT-4
CHEMBL614884
 IC50 8.36 8.36 4.4 1
DMS-114
CHEMBL614642
 IC50 7.96 7.96 11.0 1
A2780
CHEMBL614004
 IC50 7.7 7.7 20.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.43 7.018 36.8 5
TEL/KDR
CHEMBL4630759
 IC50 6.2 6.2 627.0 1
K562
CHEMBL385
 IC50 5.52 5.52 3020.0 2
HCT-116
CHEMBL394
 IC50 5.37 5.37 4240.0 2
Jurkat
CHEMBL397
 IC50 5.17 5.17 6810.0 2

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 0.1 nM 10.0 Inhibition of VEGFR2 in mouse BAF3 cells -
Fibroblast growth factor receptor 1 IC50 = 0.25 nM 9.6 Inhibition of FGFR1 (unknown origin) 38964169
Fibroblast growth factor receptor 3 IC50 = 0.42 nM 9.38 Inhibition of FGFR3 (unknown origin) 36449947
Fibroblast growth factor receptor 3 IC50 = 0.42 nM 9.38 Inhibition of FGFR3 (unknown origin) 38964169
SNU-16 IC50 = 0.7 nM 9.15 Antiproliferative activity against human SNU-16 cells assessed as inhibition of ... 36449947
SNU-16 IC50 = 0.7 nM 9.15 Antiproliferative activity against human SNU-16 cells 38964169
Unchecked IC50 = 1.1 nM 8.96 Antiproliferative activity against human ICC13-7 cells assessed as inhibition of... 38267212
Fibroblast growth factor receptor 1 IC50 = 1.2 nM 8.92 Inhibition of FGFR1 (unknown origin) 38908103
Fibroblast growth factor receptor 1 IC50 = 1.2 nM 8.92 Inhibition of FGFR1 (unknown origin) 33199155
Fibroblast growth factor receptor 1 IC50 = 1.2 nM 8.92 Inhibition of FGFR1 (unknown origin) 33940465
Fibroblast growth factor receptor 1 IC50 = 1.2 nM 8.92 Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 amino ac... 30403487
RT-112 IC50 = 1.3 nM 8.89 Antiproliferative activity against human RT-112 cells assessed as inhibition of ... 38267212
Fibroblast growth factor receptor 2 IC50 = 1.5 nM 8.82 Inhibition of FGFR2 (unknown origin) 38964169
Fibroblast growth factor receptor 2 IC50 = 1.5 nM 8.82 Inhibition of FGFR2 (unknown origin) 36449947
Fibroblast growth factor receptor 1 IC50 = 1.53 nM 8.81 Inhibition of wild-type FGFR1 (unknown origin) by radiometric kinase activity as... 35436119
Fibroblast growth factor receptor 3 IC50 = 1.62 nM 8.79 Inhibition of wild-type FGFR3 (unknown origin) by radiometric kinase activity as... 35436119
Fibroblast growth factor receptor 1 IC50 = 1.862 nM 8.73 Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 4 IC50 = 2.0 nM 8.7 Inhibition of FGFR4 (unknown origin) 36449947
Fibroblast growth factor receptor 4 IC50 = 2.0 nM 8.7 Inhibition of FGFR4 (unknown origin) 38964169
KG-1 IC50 = 2.1 nM 8.68 Inhibition of cell viability in human KG-1 cells harboring FGFR1-fusion incubate... 39258897

Literature References

PubMed DOI Target Context # Activities
36449947 10.1021/acs.jmedchem.2c01413 SNU-16 20
39258897 10.1021/acs.jmedchem.4c01531 Unchecked 7
36449947 10.1021/acs.jmedchem.2c01413 Unchecked 6
35436119 10.1021/acs.jmedchem.1c01776 BaF3 5
39258897 10.1021/acs.jmedchem.4c01531 ADMET 5
36449947 10.1021/acs.jmedchem.2c01413 Fibroblast growth factor receptor 1 5
38267212 10.1021/acs.jmedchem.3c01819 RT-112 5
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 3 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
38267212 10.1021/acs.jmedchem.3c01819 CC-LP-1 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
39258897 10.1021/acs.jmedchem.4c01531 RT112/84 4
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 2 3
38267212 10.1021/acs.jmedchem.3c01819 Unchecked 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
36449947 10.1021/acs.jmedchem.2c01413 HCT-116 2
36449947 10.1021/acs.jmedchem.2c01413 ADMET 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2

Data from ChEMBL 36 via Core Engine