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Compound Detail

CHEMBL6063087

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CCc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1

Basic Information

ChEMBL ID CHEMBL6063087
Phase Preclinical
Structure Type MOL
InChI Key NASWGROEELAJMP-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
3.84
ALogP
5
HBA
2
HBD
80.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34FN7O
MW 443.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.61

Activity Summary

Ki 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 5.43 nM 8.27 Inhibition Assay: Protein Kinase C beta 2 (PKCβII) catalyzes the production of A... -

Data from ChEMBL 36 via Core Engine