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Compound Detail

CHEMBL3701286

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CN(C)C/C=C/C(=O)N1CC[C@H](n2nc(C#Cc3cccnc3)c3c(N)ncnc32)C1

Basic Information

ChEMBL ID CHEMBL3701286
Phase Preclinical
Structure Type MOL
InChI Key RSKJKOCCSDYJNM-YXMMZVCTSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
1.09
ALogP
8
HBA
1
HBD
106.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N8O
MW 416.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.14

Activity Summary

IC50 4 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 5.8 5.8 1600.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine