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Compound Detail

CHEMBL2326020

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c1ccc([C@@H]2CN(c3cccc(-c4n[nH]c5ncccc45)n3)CCN2)cc1

Basic Information

ChEMBL ID CHEMBL2326020
Phase Preclinical
Structure Type MOL
InChI Key FNLZNOBAYWDBFQ-SFHVURJKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.17
ALogP
5
HBA
2
HBD
69.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6
MW 356.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

Ki 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
Ki 8.3 8.3 5.0 1
Protein kinase C delta type
CHEMBL2996
Ki 6.82 6.82 151.0 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