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Compound Detail

CHEMBL4436919

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CCN(CC)CCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12

Basic Information

ChEMBL ID CHEMBL4436919
Phase Preclinical
Structure Type MOL
InChI Key SWEGDJWOWMVNPV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.01
ALogP
6
HBA
1
HBD
66.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N6
MW 364.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.23

Activity Summary

IC50 2 meas. best 8.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 8.51 8.51 3.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine