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Compound Detail

CHEMBL2326011

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COC(C)(C(C)C)C1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1

Basic Information

ChEMBL ID CHEMBL2326011
Phase Preclinical
Structure Type MOL
InChI Key PXRPXQKBRGMQJJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.00
ALogP
6
HBA
2
HBD
79.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27FN6O
MW 398.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.17

Activity Summary

Ki 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
Ki 8.0 8.0 10.0 1
Protein kinase C delta type
CHEMBL2996
Ki 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23398373 10.1021/jm301465a Unchecked 1
23398373 10.1021/jm301465a Protein kinase C delta type 1
23398373 10.1021/jm301465a Protein kinase C theta type 1

Data from ChEMBL 36 via Core Engine