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Compound Detail

CHEMBL3939295

H3B-6527
Phase I
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Phase I
C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3939295
Name H3B-6527
Phase Phase I
Structure Type MOL
InChI Key MBWRLLRCTIYXDW-UHFFFAOYSA-N

Known Names

H3b 6527 H3b-6527
5
Targets
43
Activities
1
Assay Types
0
PK Parameters
15
Publications
2
Known Names

Molecular Properties

629.5
MW (Da)
5.48
ALogP
9
HBA
3
HBD
124.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C29H34Cl2N8O4
MW 629.55
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -1.13

Activity Summary

IC50 43 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BaF3
CHEMBL614524
 IC50 9.05 7.9067 0.9 3
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.85 7.1967 14.0 3
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.76 6.6 173.0 18
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.5 5.942 320.0 10
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 6.24 5.8622 579.0 9

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BaF3 IC50 = 0.9 nM 9.05 Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... 38348819
Fibroblast growth factor receptor 4 IC50 = 14.0 nM 7.85 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 4 IC50 = 14.0 nM 7.85 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
BaF3 IC50 = 35.5 nM 7.45 Antiproliferative activity against mouse BaF3 cells harboring FGFR4 V550L mutant... 38348819
BaF3 IC50 = 60.3 nM 7.22 Antiproliferative activity against mouse BaF3 cells harboring FGFR4 V550M mutant... 38348819
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -
Fibroblast growth factor receptor 1 IC50 = 173.0 nM 6.76 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 1 IC50 = 210.0 nM 6.68 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 1 IC50 = 210.0 nM 6.68 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 1 IC50 = 320.0 nM 6.5 Inhibition of human FGFR1 using KKKSPGEYVNIEFG substrate pre-incubated for 15 to... 30403487
Fibroblast growth factor receptor 3 IC50 = 320.0 nM 6.5 Inhibition of FGFR3 (unknown origin) 34962782
Fibroblast growth factor receptor 1 IC50 = 320.0 nM 6.5 Inhibition of FGFR1 (unknown origin) using poly-GT as substrate preincubated for... 34488024

Literature References

PubMed DOI Target Context # Activities
35635004 10.1021/acs.jmedchem.1c01977 Unchecked 3
38348819 10.1021/acs.jmedchem.3c01810 BaF3 3
30403487 10.1021/acs.jmedchem.8b01531 Fibroblast growth factor receptor 4 1
30403487 10.1021/acs.jmedchem.8b01531 Fibroblast growth factor receptor 3 1
30403487 10.1021/acs.jmedchem.8b01531 Fibroblast growth factor receptor 2 1
30403487 10.1021/acs.jmedchem.8b01531 Fibroblast growth factor receptor 1 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 2 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 3 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 4 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 1 1
34962782 10.1021/acs.jmedchem.1c01719 Fibroblast growth factor receptor 2 1
34962782 10.1021/acs.jmedchem.1c01719 Fibroblast growth factor receptor 3 1
34962782 10.1021/acs.jmedchem.1c01719 Fibroblast growth factor receptor 4 1
34962782 10.1021/acs.jmedchem.1c01719 Fibroblast growth factor receptor 1 1
37976704 10.1016/j.ejmech.2023.115947 Hep 3B2 1

Data from ChEMBL 36 via Core Engine