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Compound Detail

CHEMBL4446730

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CC1CCCC1Nc1nc(-c2ccncc2)nc2cnccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4446730
Phase Preclinical
Structure Type MOL
InChI Key WIFZIPRZHKCGGL-UHFFFAOYSA-N
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.69
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N5
MW 305.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.07

Activity Summary

IC50 6 meas. best 9.0
EC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
 IC50 9.0 8.528 1.0 5
Serine/threonine-protein kinase LATS
CHEMBL4523992
 IC50 6.22 6.22 606.0 1
Serine/threonine-protein kinase LATS
CHEMBL4523992
 EC50 5.58 5.58 2630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase LATS1 IC50 = 1.0 nM 9.0 LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... -
Serine/threonine-protein kinase LATS1 IC50 = 3.0 nM 8.52 LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... -
Serine/threonine-protein kinase LATS1 IC50 = 3.0 nM 8.52 LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... -
Serine/threonine-protein kinase LATS1 IC50 = 5.0 nM 8.3 Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... -
Serine/threonine-protein kinase LATS1 IC50 = 5.0 nM 8.3 LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... -
Serine/threonine-protein kinase LATS IC50 = 606.0 nM 6.22 Inhibition of LATS in human HaCaT cells assessed as reduction in YAP phosphoryla... -
Serine/threonine-protein kinase LATS EC50 = 2630.0 nM 5.58 Inhibition of LATS in human HaCaT cells assessed as reduction in YAP nuclear tra... -

Data from ChEMBL 36 via Core Engine