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Compound Detail

CHEMBL5557241

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N#Cc1ccc(N2CC(CN3CCC(n4ccc5c(Cl)ncnc54)CC3)C2)cc1

Basic Information

ChEMBL ID CHEMBL5557241
Phase Preclinical
Structure Type MOL
InChI Key WLQPYNLVUKNRKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
3.73
ALogP
6
HBA
0
HBD
61.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN6
MW 406.92
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MV4-11
CHEMBL613835
IC50 5.18 5.18 6540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 6540.0 nM 5.18 Antiproliferative activity against human MV4-11 cells incubated for 72 hrs by MT... 38367493

Literature References

Data from ChEMBL 36 via Core Engine