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Compound Detail

CHEMBL5966882

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Cc1c(-c2cc3ncnc(N4CCN(C(=O)NCc5ccc(F)cc5)CC4)c3s2)cnn1C

Basic Information

ChEMBL ID CHEMBL5966882
Phase Preclinical
Structure Type MOL
InChI Key VLWUPHSZUDJJNM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
3.57
ALogP
7
HBA
1
HBD
79.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24FN7OS
MW 465.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.24

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