Compound Detail

CHEMBL512076

GSK-192082A

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CCNC(=O)O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL512076
Name	GSK-192082A
Phase	Preclinical
Structure Type	MOL
InChI Key	IYINYGZMZPUBOK-TZIWHRDSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

566.1

MW (Da)

5.63

ALogP

HBA

HBD

97.4

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 8.0

EC50 3 meas. best 7.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	IC50	8.0	7.58	10.0	3
BT-474 CHEMBL614529	EC50	7.52	7.52	30.0	1
BT-474 CHEMBL614529	IC50	7.52	7.52	30.0	1
Epidermal growth factor receptor CHEMBL203	IC50	7.5	7.5	32.0	2
HN5 CHEMBL614828	EC50	7.02	7.02	95.0	1
HN5 CHEMBL614828	IC50	7.02	7.02	95.0	1
HFF CHEMBL614071	EC50	5.38	5.38	4200.0	1

Parameter	Value	Units	Species
AUC	61.0	ng.hr.kg/mg/ml	Mus musculus
AUC	93.0	ng.hr.kg/mg/ml	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor tyrosine-protein kinase erbB-2	IC50	=	10.0	nM	8.0	Inhibition of ERBb2 by DELFIA assay	19028424
BT-474	EC50	=	30.0	nM	7.52	Antiproliferative activity against human BT474 cells overexpressing ERBb2 after ...	19028424
BT-474	IC50	=	30.0	nM	7.52	Antiproliferative activity against human BT474 cells overexpressing ErbB2 after ...	18842405
Epidermal growth factor receptor	IC50	=	32.0	nM	7.5	Inhibition of EGFR by HTRF assay	19028424
Epidermal growth factor receptor	IC50	=	32.0	nM	7.5	Inhibition of EGFR kinase	18842405
Receptor tyrosine-protein kinase erbB-2	IC50	=	43.0	nM	7.37	Inhibition of ERBb2 by HTRF assay	19028424
Receptor tyrosine-protein kinase erbB-2	IC50	=	43.0	nM	7.37	Inhibition of ErbB2 kinase	18842405
HN5	EC50	=	95.0	nM	7.02	Antiproliferative activity against human HN5 cells overexpressing EGFR after 3 d...	19028424
HN5	IC50	=	95.0	nM	7.02	Antiproliferative activity against human HN5 cells overexpressing EGFR after 3 d...	18842405
HFF	EC50	=	4200.0	nM	5.38	Antiproliferative activity against human HFF cells after 3 days by methylene blu...	19028424

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL1961873	Tyrosine-protein kinase ABL1	14
-	10.6019/CHEMBL1961873	Epidermal growth factor receptor	10
-	10.6019/CHEMBL1961873	Mast/stem cell growth factor receptor Kit	8
-	10.6019/CHEMBL1961873	Platelet-derived growth factor receptor alpha	8
-	10.6019/CHEMBL1961873	Proto-oncogene tyrosine-protein kinase receptor Ret	6
-	10.6019/CHEMBL1961873	Protein kinase C beta type	4
-	10.6019/CHEMBL1961873	Cyclin-dependent kinase 2	4
-	10.6019/CHEMBL1961873	Serine/threonine-protein kinase B-raf	4
-	10.6019/CHEMBL1961873	Leucine-rich repeat serine/threonine-protein kinase 2	4
-	10.6019/CHEMBL1961873	Receptor-type tyrosine-protein kinase FLT3	4
-	10.6019/CHEMBL1961873	Tyrosine-protein kinase Lyn	4
-	10.6019/CHEMBL1961873	Protein kinase C theta type	2
-	10.6019/CHEMBL1961873	Ribosomal protein S6 kinase alpha-4	2
-	10.6019/CHEMBL1961873	Ribosomal protein S6 kinase alpha-5	2
-	10.6019/CHEMBL1961873	RAC-gamma serine/threonine-protein kinase	2
-	10.6019/CHEMBL1961873	RAC-beta serine/threonine-protein kinase	2
-	10.6019/CHEMBL1961873	RAC-alpha serine/threonine-protein kinase	2
-	10.6019/CHEMBL1961873	Protein kinase C iota type	2
18842405	10.1016/j.bmcl.2008.09.090	Epidermal growth factor receptor	2
-	10.6019/CHEMBL2007661	Serine/threonine-protein kinase TBK1	2

Data from ChEMBL 36 via Core Engine