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Compound Detail

CHEMBL6036298

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Cc1nn(C)cc1-c1cc2ncnc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2s1

Basic Information

ChEMBL ID CHEMBL6036298
Phase Preclinical
Structure Type MOL
InChI Key IVMVDFSLLZSRTB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.0
MW (Da)
5.37
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN6OS
MW 464.98
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.91

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 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine