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Compound Detail

CHEMBL1964648

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c1cc(NC2CCCCC2)nc(Nc2ccc3[nH]ncc3c2)n1

Basic Information

ChEMBL ID CHEMBL1964648
Phase Preclinical
Structure Type MOL
InChI Key JLMARWBNDGMWGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.84
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.68
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 C17H20N6
MW 308.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.71

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 6.7 6.7 199.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine