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Compound Detail

CHEMBL4439805

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CN(C)C(C)(C)CNc1nc(-c2ccncc2)nc2cnccc12

Basic Information

ChEMBL ID CHEMBL4439805
Phase Preclinical
Structure Type MOL
InChI Key DKTKSNOAXMCFTA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.84
ALogP
6
HBA
1
HBD
66.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N6
MW 322.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.47

Activity Summary

IC50 2 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 8.43 8.43 3.7 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine