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Compound Detail

CHEMBL21215

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CNc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1

Basic Information

ChEMBL ID CHEMBL21215
Phase Preclinical
Structure Type MOL
InChI Key MVYORVTVMZISKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.63
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.77
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 C17H17N5
MW 291.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 4.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
IC50 4.15 4.15 71000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type IC50 = 71000.0 nM 4.15 Inhibition of serine/threonine kinase(PKC-alpha) -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00197-7 Platelet-derived growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Epidermal growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C alpha type 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C delta type 1
- 10.1016/0960-894X(96)00197-7 cAMP-dependent protein kinase (PKA) 1

Data from ChEMBL 36 via Core Engine