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Compound Detail

CHEMBL5880510

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C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)CN1c1nnco1

Basic Information

ChEMBL ID CHEMBL5880510
Phase Preclinical
Structure Type MOL
InChI Key LCVNICSLMILSMJ-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
1.80
ALogP
11
HBA
1
HBD
137.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N8O4
MW 486.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine