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Compound Detail

CHEMBL5875497

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COc1cccc(CNC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(F)cc5)cc34)CC2)c1

Basic Information

ChEMBL ID CHEMBL5875497
Phase Preclinical
Structure Type MOL
InChI Key JEMCBSJYDUKGES-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
3.80
ALogP
5
HBA
2
HBD
86.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25FN6O2
MW 460.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.59

Activity Summary

Ki 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 6.3 5.78 500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine