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Compound Detail

CHEMBL5594936

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C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCN)c3)c2c1)c1c(Cl)cncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594936
Phase Preclinical
Structure Type MOL
InChI Key BWXRVBZSPGHFIP-CXLRFSCWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.3
MW (Da)
4.73
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20Cl2N6O
MW 443.34
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 2 IC50 = 2.09 nM 8.68 Inhibition of FGFR2 (unknown origin) 38908103

Literature References

PubMed DOI Target Context # Activities
38908103 10.1016/j.ejmech.2024.116612 Fibroblast growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine