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Compound Detail

CHEMBL5917762

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Cc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)n1

Basic Information

ChEMBL ID CHEMBL5917762
Phase Preclinical
Structure Type MOL
InChI Key SDBZHNNKKXPNRV-GJZGRUSLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.34
ALogP
5
HBA
2
HBD
80.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30FN7O
MW 427.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.98

Activity Summary

Ki 2 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C beta type
CHEMBL3045
Ki 8.19 8.19 6.4 1
Unchecked
CHEMBL612545
Ki 8.19 8.19 6.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine