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Compound Detail

CHEMBL3828009

LY-2874455
Phase I
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Phase I
C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828009
Name LY-2874455
Phase Phase I
Structure Type MOL
InChI Key GKJCVYLDJWTWQU-CXLRFSCWSA-N

Known Names

Ly-2874455 LY2874455
25
Targets
73
Activities
1
Assay Types
1
PK Parameters
20
Publications
2
Known Names
1
Mechanisms

Molecular Properties

444.3
MW (Da)
4.76
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C21H19Cl2N5O2
MW 444.32
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.16

Mechanism of Action

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

Activity Summary

IC50 73 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.7 8.6686 0.2 7
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 9.59 8.633 0.3 10
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 9.54 8.1167 0.3 9
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 9.52 8.9055 0.3 11
SNU-449
CHEMBL1075585
 IC50 9.41 9.41 0.4 1
SNU-16
CHEMBL613529
 IC50 9.29 8.975 0.5 2
KATO III stomach cancer cell line
CHEMBL612700
 IC50 9.15 9.15 0.7 1
BaF3
CHEMBL614524
 IC50 9.0 7.5975 1.0 4
Hep 3B2
CHEMBL4296437
 IC50 9.0 7.79 1.0 2
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.49 8.2267 3.2 9
MDA-MB-453
CHEMBL614334
 IC50 8.3 8.3 5.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.24 8.195 5.8 2
AN3-CA
CHEMBL1075392
 IC50 8.18 8.18 6.6 1
RT-112
CHEMBL614145
 IC50 8.07 8.07 8.6 1
TEL/KDR
CHEMBL4630759
 IC50 8.05 8.05 9.0 1
Fibroblast growth factor receptor 4
CHEMBL3839
 IC50 8.0 7.56 10.0 2
NCI-H1581
CHEMBL1075516
 IC50 7.52 7.52 30.5 1
NCI-H1299
CHEMBL612255
 IC50 7.23 7.23 59.0 1
A2780
CHEMBL614004
 IC50 7.0 7.0 99.0 1
BXPC-3
CHEMBL614530
 IC50 6.3 6.3 500.0 1
HEK-293T
CHEMBL3706568
 IC50 6.26 6.26 547.0 1
HCT-116
CHEMBL394
 IC50 6.14 6.14 725.0 1
MCF7
CHEMBL387
 IC50 6.08 6.08 829.0 1
MDA-MB-231
CHEMBL400
 IC50 5.9 5.9 1253.0 1
NCI-H1975
CHEMBL614348
 IC50 5.87 5.87 1353.0 1

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
Unchecked IC50 = 0.2 nM 9.7 Inhibition of recombinant FGFR3/BAIAP2L1 (unknown origin) transduced in mouse Ba... 39258897
Unchecked IC50 = 0.2 nM 9.7 Inhibition of recombinant BCR/FGFR2 (unknown origin) transduced in mouse BaF3 ce... 39258897
Fibroblast growth factor receptor 2 IC50 = 0.26 nM 9.59 Inhibition of FGFR2 V564M mutant (unknown origin) 36395392
Fibroblast growth factor receptor 3 IC50 = 0.29 nM 9.54 Inhibition of FGFR3 (unknown origin) using TK as substrate incubated for 1 hr in... 36480917
Fibroblast growth factor receptor 1 IC50 = 0.3 nM 9.52 Inhibition of recombinant human FGFR1 using poly (Glu, Tyr) 4:1 as substrate aft... 27348537
Fibroblast growth factor receptor 1 IC50 = 0.3 nM 9.52 Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu,Tyr) 4:1 as sub... 29522671
Fibroblast growth factor receptor 2 IC50 = 0.3 nM 9.52 Inhibition of wild type FGFR2 (unknown origin) 36395392
SNU-449 IC50 = 0.392 nM 9.41 Antiproliferative activity against human SNU-449 cells expressing FGFR1/4 assess... 38908103
Fibroblast growth factor receptor 2 IC50 = 0.41 nM 9.39 Inhibition of FGFR2 V564F mutant (unknown origin) 38908103
Fibroblast growth factor receptor 1 IC50 = 0.47 nM 9.33 Inhibition of FGFR1 (unknown origin) 37437349
Fibroblast growth factor receptor 1 IC50 = 0.5 nM 9.3 Inhibition of wild type FGFR1 (unknown origin) 36395392
Unchecked IC50 = 0.5 nM 9.3 Inhibition of recombinant BCR/FGFR1 (unknown origin) transduced in mouse BaF3 ce... 39258897
SNU-16 IC50 = 0.511 nM 9.29 Antiproliferative activity against FGFR2 amplified human SNU-16 cells measured a... 38908103
Fibroblast growth factor receptor 2 IC50 = 0.53 nM 9.28 Inhibition of FGFR2 (unknown origin) using TK as substrate incubated for 1 hr in... 36480917
Fibroblast growth factor receptor 1 IC50 = 0.57 nM 9.24 Inhibition of FGFR1 V561M mutant (unknown origin) 36395392
KATO III stomach cancer cell line IC50 = 0.71 nM 9.15 Antiproliferative activity against FGFR2 amplified human KATO III cells measured... 38908103
Unchecked IC50 = 0.8 nM 9.1 Inhibition of FGFR4 V550L (unknown origin) using TK as substrate incubated for 1... 36480917
BaF3 IC50 = 1.0 nM 9.0 Antiproliferative activity against mouse BAF3 cells expressing wild-type FGFR4 a... 35271262
Hep 3B2 IC50 = 1.0 nM 9.0 Antiproliferative activity against human Hep3B cells assessed as inhibition of c... 35271262
Fibroblast growth factor receptor 1 IC50 = 1.3 nM 8.89 Inhibition of FGFR1 (unknown origin) using TK as substrate incubated for 1 hr in... 36480917

Literature References

PubMed DOI Target Context # Activities
39258897 10.1021/acs.jmedchem.4c01531 Unchecked 5
30403487 10.1021/acs.jmedchem.8b01531 Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
32930584 10.1021/acs.jmedchem.0c01019 Fibroblast growth factor receptor 4 3
38908103 10.1016/j.ejmech.2024.116612 Fibroblast growth factor receptor 2 3
36395392 10.1021/acs.jmedchem.2c01361 Fibroblast growth factor receptor 1 2
36395392 10.1021/acs.jmedchem.2c01361 Fibroblast growth factor receptor 2 2
37437349 10.1016/j.ejmech.2023.115628 BaF3 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
38908103 10.1016/j.ejmech.2024.116612 KATO III stomach cancer cell line 2
36395392 10.1021/acs.jmedchem.2c01361 Fibroblast growth factor receptor 3 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
30403487 10.1021/acs.jmedchem.8b01531 Fibroblast growth factor receptor 2 1
33940465 10.1016/j.ejmech.2021.113499 Fibroblast growth factor receptor 1 1
30403487 10.1021/acs.jmedchem.8b01531 Fibroblast growth factor receptor 1 1
30403487 10.1021/acs.jmedchem.8b01531 Fibroblast growth factor receptor 4 1
29522671 10.1021/acs.jmedchem.7b01843 Fibroblast growth factor receptor 1 1
29522671 10.1021/acs.jmedchem.7b01843 Fibroblast growth factor receptor 4 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
27348537 10.1021/acs.jmedchem.6b00056 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine