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Compound Detail

CHEMBL1432553

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CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N

Basic Information

ChEMBL ID CHEMBL1432553
Phase Preclinical
Structure Type MOL
InChI Key PYLKIUBYVAMNEF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.69
ALogP
7
HBA
2
HBD
114.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N6O
MW 328.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein phosphatase
CHEMBL1293265
IC50 4.82 4.82 15180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine