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Compound Detail

CHEMBL4472817

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CCCNc1nc(-c2ccncc2)nc2cnccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4472817
Phase Preclinical
Structure Type MOL
InChI Key WKYHVIILYCJVBF-UHFFFAOYSA-N
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.91
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5
MW 265.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.47

Activity Summary

IC50 6 meas. best 8.7
EC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
 IC50 8.7 8.29 2.0 3
Serine/threonine-protein kinase LATS2
CHEMBL5907
 IC50 7.3 7.3 50.0 2
Serine/threonine-protein kinase LATS
CHEMBL4523992
 EC50 5.37 5.37 4250.0 1
Serine/threonine-protein kinase LATS
CHEMBL4523992
 IC50 5.14 5.14 7310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase LATS1 IC50 = 2.0 nM 8.7 Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... -
Serine/threonine-protein kinase LATS1 IC50 = 2.0 nM 8.7 LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... -
Serine/threonine-protein kinase LATS1 IC50 = 34.0 nM 7.47 Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... -
Serine/threonine-protein kinase LATS2 IC50 = 50.0 nM 7.3 Inhibition of human LATS2 kinase domain (553 to 1088 amino acids) incubated for ... -
Serine/threonine-protein kinase LATS2 IC50 = 50.0 nM 7.3 LATS2 Biochemical Caliper Assay: Human LATS2 kinase domain protein was purchased... -
Serine/threonine-protein kinase LATS EC50 = 4250.0 nM 5.37 Inhibition of LATS in human HaCaT cells assessed as reduction in YAP nuclear tra... -
Serine/threonine-protein kinase LATS IC50 = 7310.0 nM 5.14 Inhibition of LATS in human HaCaT cells assessed as reduction in YAP phosphoryla... -

Data from ChEMBL 36 via Core Engine