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Compound Detail

CHEMBL5758512

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C=CC(=O)N1CC[C@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)nccc32)C1

Basic Information

ChEMBL ID CHEMBL5758512
Phase Preclinical
Structure Type MOL
InChI Key IAFMKFZHOIAKRF-SFHVURJKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
2.99
ALogP
6
HBA
1
HBD
82.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O3
MW 416.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.58

Activity Summary

IC50 2 meas. best 8.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.31 8.31 4.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine