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Compound Detail

CHEMBL5979560

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C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(N(C)C)ncc3F)n[nH]c2C1(C)C

Basic Information

ChEMBL ID CHEMBL5979560
Phase Preclinical
Structure Type MOL
InChI Key QECHNSUNXZVJGC-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
2.73
ALogP
7
HBA
2
HBD
96.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H34FN9O
MW 459.57
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.78

Activity Summary

Ki 1 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.06 8.06 8.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 8.75 nM 8.06 Inhibition Assay: Protein Kinase C beta 2 (PKCβII) catalyzes the production of A... -

Data from ChEMBL 36 via Core Engine