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Compound Detail

CHEMBL3701261

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CC#CC(=O)N1CC[C@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1

Basic Information

ChEMBL ID CHEMBL3701261
Phase Preclinical
Structure Type MOL
InChI Key MPMGWWLEPFXNRV-SFHVURJKSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
2.23
ALogP
7
HBA
1
HBD
95.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O3
MW 429.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.58

Activity Summary

IC50 4 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.37 8.37 4.3 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine