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Compound Detail

CHEMBL4204384

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Cc1nc2ccc(-c3ccnc4[nH]ccc34)cc2[nH]1

Basic Information

ChEMBL ID CHEMBL4204384
Phase Preclinical
Structure Type MOL
InChI Key QQAICODXWLWSIN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.41
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N4
MW 248.29
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 3.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C iota type
CHEMBL2598
IC50 3.67 3.67 215000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C iota type IC50 = 215000.0 nM 3.67 Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... 29688013

Literature References

PubMed DOI Target Context # Activities
29688013 10.1021/acs.jmedchem.8b00060 Protein kinase C iota type 1

Data from ChEMBL 36 via Core Engine