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Compound Detail

CHEMBL4848530

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CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3c(c21)C1(CC1)C(=O)N3

Basic Information

ChEMBL ID CHEMBL4848530
Phase Preclinical
Structure Type MOL
InChI Key QCMVOHHNJDEZPX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
3.33
ALogP
5
HBA
1
HBD
84.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F2N4O4
MW 430.41
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.24

Activity Summary

IC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.7 7.7 20.0 1
Unchecked
CHEMBL612545
IC50 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34269576 10.1021/acs.jmedchem.1c00713 Fibroblast growth factor receptor 1 1
34269576 10.1021/acs.jmedchem.1c00713 NCI-H1581 1
34269576 10.1021/acs.jmedchem.1c00713 Unchecked 1

Data from ChEMBL 36 via Core Engine