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Compound Detail

CHEMBL5929008

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Cc1ccc(S(=O)(=O)NC2CCN(c3ncnc4[nH]c(-c5cnn(C)c5)cc34)CC2)s1

Basic Information

ChEMBL ID CHEMBL5929008
Phase Preclinical
Structure Type MOL
InChI Key CSAWOBYLQMZYDW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
2.68
ALogP
8
HBA
2
HBD
108.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N7O2S2
MW 457.59
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.17

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 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine