Compound Detail

CHEMBL1880739

GW305074X

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O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1880739
Name	GW305074X
Phase	Preclinical
Structure Type	MOL
InChI Key	LMXYVLFTZRPNRV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

521.0

MW (Da)

5.01

ALogP

HBA

HBD

49.3

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C15H8Br2INO2
MW	520.95
Aromatic Rings	2
Heavy Atoms	21
NP-Likeness	-0.50

Activity Summary

IC50 45 meas. best 8.82

Kd 1 meas. best 4.47

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase B-raf CHEMBL5145	IC50	8.82	8.0017	1.5	18
RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906	IC50	8.59	8.03	2.6	11
Epidermal growth factor receptor CHEMBL203	IC50	8.59	8.59	2.6	1
Serine/threonine-protein kinase A-Raf CHEMBL1169596	IC50	7.84	7.84	14.6	1
Serine/threonine-protein kinase pim-2 CHEMBL4523	IC50	7.16	7.16	70.0	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	IC50	7.0	7.0	100.0	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	IC50	6.77	6.77	170.0	1
Casein kinase II subunit alpha CHEMBL3629	IC50	6.55	6.55	279.0	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	IC50	5.72	5.72	1890.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	IC50	5.36	5.36	4380.0	1
High affinity nerve growth factor receptor CHEMBL2815	IC50	5.33	5.33	4700.0	1
Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199	IC50	5.27	5.27	5400.0	1
NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462	IC50	4.81	4.81	15600.0	1
NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183	IC50	4.71	4.36	19500.0	2
NAD-dependent protein deacetylase sirtuin-3, mitochondrial CHEMBL4461	IC50	4.6	4.6	25100.0	1
Myocilin CHEMBL4105967	Kd	4.47	4.47	33500.0	1
NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506	IC50	4.38	4.38	41600.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase B-raf	IC50	=	1.5	nM	8.82	Inhibition of B-Raf V600E mutant (unknown origin) using fluorescein-MAP2K1 as su...	30108894
Epidermal growth factor receptor	IC50	=	2.58	nM	8.59	Kinase Hotspot Assay: Reaction biology kinase hotspot service (http://www.reacti...	-
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	2.58	nM	8.59	Enzymatic Activity Assay: Reaction biology kinase hotspot service (http://www.re...	-
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	2.87	nM	8.54	Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate afte...	21353571
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	2.87	nM	8.54	inhibition of RAF1	21353571
Serine/threonine-protein kinase B-raf	IC50	=	2.96	nM	8.53	Enzymatic Activity Assay: Reaction biology kinase hotspot service (http://www.re...	-
Serine/threonine-protein kinase B-raf	IC50	=	2.96	nM	8.53	Kinase Hotspot Assay: Reaction biology kinase hotspot service (http://www.reacti...	-
Serine/threonine-protein kinase B-raf	IC50	=	3.7	nM	8.43	Inhibition of BRAF (unknown origin) in presence of ATP by Lanthascreen TR-FRET a...	33730678
Serine/threonine-protein kinase B-raf	IC50	=	4.33	nM	8.36	Inhibition of BRAF V599E mutant	22014755
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	4.4	nM	8.36	Inhibition of cRAF1 (unknown origin) at 10 uM	24878193
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	4.93	nM	8.31	Inhibition of human CRAF using [gamma-33P]ATP after 40 mins by scintillation cou...	22014755
Serine/threonine-protein kinase B-raf	IC50	=	5.4	nM	8.27	Inhibition of BRAF V599E mutant (unknown origin)	24878193
Serine/threonine-protein kinase B-raf	IC50	=	5.8	nM	8.24	Inhibition of BRAF V600E mutant (unknown origin) using MEK1 (K97R) as substrate ...	35814929
Serine/threonine-protein kinase B-raf	IC50	=	7.49	nM	8.13	Inhibition of human BRAF V600E mutant using MEK1 (K97R) as substrate in presence...	32942186
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	7.36	nM	8.13	Inhibition of human CRAF using MEK1 (K97R) as substrate in presence of [gamma-33...	32942186
Serine/threonine-protein kinase B-raf	IC50	=	8.52	nM	8.07	Enzymatic Activity Assay: Reaction biology kinase hotspot service (http://www.re...	-
Serine/threonine-protein kinase B-raf	IC50	=	8.52	nM	8.07	Kinase Hotspot Assay: Reaction biology kinase hotspot service (http://www.reacti...	-
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	9.0	nM	8.05	Inhibition of Raf-1 (unknown origin)	35802779
Serine/threonine-protein kinase B-raf	IC50	=	10.71	nM	7.97	Inhibition of BRAF (unknown origin)	24878193
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	10.6	nM	7.97	Inhibition of human RAF1 using MEK1 as substrate by [gamma-33P]-ATP assay	30384048

Literature References

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
23195732	10.1016/j.bmcl.2012.10.136	NAD-dependent protein deacylase sirtuin-5, mitochondrial	6
-	10.6019/CHEMBL1961873	Proto-oncogene tyrosine-protein kinase receptor Ret	6
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL1961873	Receptor-type tyrosine-protein kinase FLT3	4
-	10.6019/CHEMBL1961873	Leucine-rich repeat serine/threonine-protein kinase 2	4
-	10.6019/CHEMBL1961873	Cyclin-dependent kinase 2	4
-	10.6019/CHEMBL1961873	Tyrosine-protein kinase Lyn	4
-	10.6019/CHEMBL1961873	Protein kinase C beta type	4
-	10.6019/CHEMBL1961873	Serine/threonine-protein kinase B-raf	4
-	10.6019/CHEMBL1961873	Ribosomal protein S6 kinase beta-1	2
17850214	10.1042/bj20070797	Unchecked	2
17850214	10.1042/bj20070797	Serine/threonine-protein kinase pim-1	2
17850214	10.1042/bj20070797	Serine/threonine-protein kinase pim-2	2
17850214	10.1042/bj20070797	Serine/threonine-protein kinase pim-3	2
-	10.6019/CHEMBL1961873	cAMP-dependent protein kinase catalytic subunit alpha	2
-	10.6019/CHEMBL1961873	Protein kinase C alpha type	2

Data from ChEMBL 36 via Core Engine