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Compound Detail

CHEMBL2326008

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CC(C)[C@](C)(O)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2326008
Phase Preclinical
Structure Type MOL
InChI Key PDSONWYECZHBAE-QRWLVFNGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.34
ALogP
6
HBA
3
HBD
90.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25FN6O
MW 384.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.96

Activity Summary

Ki 1 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
 Ki 6.88 6.88 133.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C theta type Ki = 133.0 nM 6.88 Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQ... 23398373

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