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Compound Detail

CHEMBL4215492

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c1cc(-c2ccc3ncn(-c4ccc5c(c4)CNC5)c3c2)c2cc[nH]c2n1

Basic Information

ChEMBL ID CHEMBL4215492
Phase Preclinical
Structure Type MOL
InChI Key QOPABWIBFIAXAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
4.17
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N5
MW 351.41
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C iota type
CHEMBL2598
IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

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