Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1202927

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)CC1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1202927
Phase Preclinical
Structure Type MOL
InChI Key HSPRASOZRZDELU-UHFFFAOYSA-N
Parent Compound CHEMBL95925
Active Moiety CHEMBL95925
7
Targets
11
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
3.82
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.48
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 C28H29ClN4O2
MW 489.02
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.30

Activity Summary

IC50 11 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.5 6.43 32.0 5
Protein kinase C (PKC)
CHEMBL2094266
 IC50 7.38 7.38 42.0 1
Protein kinase C, PKC; classical
CHEMBL2097168
 IC50 7.38 7.38 42.0 1
Homo sapiens
CHEMBL372
 IC50 6.02 6.02 950.0 1
Protein kinase C, PKC; classical/novel
CHEMBL2096620
 IC50 5.7 5.7 2000.0 1
cAMP-dependent protein kinase (PKA)
CHEMBL2094138
 IC50 5.23 5.23 5900.0 1
Myosin light chain kinase, smooth muscle
CHEMBL2428
 IC50 4.75 4.75 17800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 32.0 nM 7.5 Inhibition of human neutrophil protein kinase C (PKC) 8421286
Protein kinase C, PKC; classical IC50 = 42.0 nM 7.38 Inhibition of protein kinase C was evaluated as Inhibitory concentration 8421286
Protein kinase C (PKC) IC50 = 42.0 nM 7.38 Inhibition of protein kinase C (PKC) of rat brain 8421286
Unchecked IC50 = 45.0 nM 7.35 Inhibition of human platelet protein kinase C (PKC) 8421286
Unchecked IC50 = 540.0 nM 6.27 Antagonistic effect on allogenic mixed lymphocyte reaction 8421286
Homo sapiens IC50 = 950.0 nM 6.02 Inhibition of TPA-stimulated 47-kDa protein phosphorylation in platelets 8421286
Unchecked IC50 = 1100.0 nM 5.96 Inhibition of rabbit muscle phosphorylase kinase (PhK) 8421286
Protein kinase C, PKC; classical/novel IC50 = 2000.0 nM 5.7 Antagonistic effect on TPA-stimulated CD3 down-regulation in T-cells 8421286
cAMP-dependent protein kinase (PKA) IC50 = 5900.0 nM 5.23 Inhibition of human neutrophil protein kinase A (PKA) 8421286
Unchecked IC50 = 8600.0 nM 5.07 Inhibition of protein kinase A was evaluated as Inhibitory concentration 8421286
Myosin light chain kinase, smooth muscle IC50 = 17800.0 nM 4.75 Inhibition of myosin light chain kinase (MLCK) from turkey gizzard 8421286

Literature References

PubMed DOI Target Context # Activities
8421286 10.1021/jm00053a003 Unchecked 6
8421286 10.1021/jm00053a003 Protein kinase C, PKC; classical 1
8421286 10.1021/jm00053a003 Protein kinase C (PKC) 1
8421286 10.1021/jm00053a003 cAMP-dependent protein kinase (PKA) 1
8421286 10.1021/jm00053a003 Myosin light chain kinase, smooth muscle 1
8421286 10.1021/jm00053a003 Tyrosine-protein kinase Lck 1
8421286 10.1021/jm00053a003 Proto-oncogene tyrosine-protein kinase Src 1
8421286 10.1021/jm00053a003 Homo sapiens 1
8421286 10.1021/jm00053a003 Protein kinase C, PKC; classical/novel 1

Data from ChEMBL 36 via Core Engine