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Compound Detail

CHEMBL5427852

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Cc1cc(C)n(-c2nc(Nc3ccccc3)c3c(ccn3C)n2)n1

Basic Information

ChEMBL ID CHEMBL5427852
Phase Preclinical
Structure Type MOL
InChI Key DCQNJYPAQLEEKQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.51
ALogP
6
HBA
1
HBD
60.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N6
MW 318.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.79

Activity Summary

EC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.07 5.07 8430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 8430.0 nM 5.07 Activation of rat SK2 variant a transfected in human tsA201 cells coexpressing C... 37068385

Literature References

PubMed DOI Target Context # Activities
37068385 10.1016/j.ejmech.2023.115353 Unchecked 1

Data from ChEMBL 36 via Core Engine