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Compound Detail

CHEMBL1765753

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CN(C)c1nccc(-c2ccc3c(N)n[nH]c3c2)n1

Basic Information

ChEMBL ID CHEMBL1765753
Phase Preclinical
Structure Type MOL
InChI Key DBVMFHRZSPEVFQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
1.67
ALogP
5
HBA
2
HBD
83.7
PSA (Ų)
0.73
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 C13H14N6
MW 254.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 4.7 4.7 19952.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3-phosphoinositide-dependent protein kinase 1 IC50 = 19952.62 nM 4.7 Inhibition of PDK1 21341675

Literature References

PubMed DOI Target Context # Activities
21341675 10.1021/jm101527u 3-phosphoinositide-dependent protein kinase 1 1

Data from ChEMBL 36 via Core Engine