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Compound Detail

CHEMBL1907675

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Cc1ncnc2c1ncn2C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL1907675
Phase Preclinical
Structure Type MOL
InChI Key DWFBKFNAOZTZMD-QHCPKHFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
2.90
ALogP
7
HBA
1
HBD
70.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O
MW 442.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.09

Activity Summary

EC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.4 5.4 3990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 3990.0 nM 5.4 Effective concentration against Xenopus oocytes expressing human heart Na channe... 7629798

Literature References

PubMed DOI Target Context # Activities
7629798 10.1021/jm00014a011 Unchecked 2

Data from ChEMBL 36 via Core Engine