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Compound Detail

CHEMBL4465820

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CN(C)CC(C)(C)CN(C)c1nc(-c2ccncc2)nc2cnccc12

Basic Information

ChEMBL ID CHEMBL4465820
Phase Preclinical
Structure Type MOL
InChI Key DZFPOKOZZUSCGA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
3.11
ALogP
6
HBA
0
HBD
58.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N6
MW 350.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 8.52 8.52 3.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine