Compound Detail

CHEMBL189584

PD-173074

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CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL189584
Name	PD-173074
Phase	Preclinical
Structure Type	MOL
InChI Key	DXCUKNQANPLTEJ-UHFFFAOYSA-N

360

Targets

608

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

523.7

MW (Da)

5.16

ALogP

HBA

HBD

113.5

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C28H41N7O3
MW	523.68
Aromatic Rings	3
Heavy Atoms	38
NP-Likeness	-0.98

Activity Summary

IC50 601 meas. best 9.0

EC50 5 meas. best 7.68

Ki 2 meas. best 7.44

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3960	IC50	9.0	9.0	1.0	1
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	8.3	7.95	5.0	2
Fibroblast growth factor receptor CHEMBL2095217	IC50	8.15	6.9533	7.0	3
Unchecked CHEMBL612545	IC50	8.1	6.2529	8.0	7
NCI-H1581 CHEMBL1075516	IC50	7.91	7.91	12.2	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.82	7.6458	15.0	12
SUM185PE CHEMBL4632331	IC50	7.7	7.7	20.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	EC50	7.68	7.68	21.0	1
Fibroblast growth factor receptor 3 CHEMBL2742	EC50	7.52	7.52	30.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.44	7.39	36.4	2
KG-1 CHEMBL612264	IC50	7.29	7.29	51.3	1
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	7.23	7.23	58.4	1
SW780 CHEMBL1075595	IC50	7.07	6.24	84.3	2
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.0	6.96	100.0	2
Vascular endothelial growth factor receptor CHEMBL2095227	IC50	6.72	6.72	190.0	1
MFM-223 CHEMBL1075504	IC50	6.67	6.67	215.8	1
Vascular endothelial growth factor receptor 2 CHEMBL279	EC50	6.6	6.6	250.0	1
NCI-H520 CHEMBL614099	IC50	6.55	5.805	281.0	2
EOL1 CHEMBL614489	IC50	6.48	6.48	329.8	1
ECC10 CHEMBL2366117	IC50	6.47	6.47	339.0	1
H-EMC-SS CHEMBL1075451	IC50	6.46	6.46	347.1	1
AN3-CA CHEMBL1075392	IC50	6.4	6.4	401.3	1
HuO-3N1 CHEMBL1075475	IC50	6.26	6.26	546.5	1
RT-112 CHEMBL614145	IC50	6.26	6.26	547.0	1
NEC8 CHEMBL2366340	IC50	6.25	6.25	562.9	1
D-263MG CHEMBL2366183	IC50	6.15	6.15	711.6	1
SW 962 CHEMBL613530	IC50	6.1	6.1	789.9	1
MFE-280 CHEMBL1075502	IC50	6.07	6.07	858.7	1
BV-173 CHEMBL2366145	IC50	6.07	6.07	846.2	1
Huh-7 CHEMBL614039	IC50	5.91	5.91	1244.6	1
RS4-11 CHEMBL2366159	IC50	5.87	5.87	1338.9	1
DMS-114 CHEMBL614642	IC50	5.86	5.86	1367.4	1
MSTO-211H CHEMBL1075509	IC50	5.83	5.83	1473.8	1
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	5.8	5.8	1579.0	1
DU-145 CHEMBL613508	IC50	5.8	5.8	1582.2	1
A 172 CHEMBL614512	IC50	5.77	5.77	1703.5	1
SBC-1 CHEMBL2366327	IC50	5.68	5.68	2094.0	1
H9 CHEMBL614806	IC50	5.67	5.67	2143.1	1
NCI-H720 CHEMBL2366105	IC50	5.66	5.66	2212.8	1
SNU1 CHEMBL614931	IC50	5.66	5.66	2183.9	1
HCC2218 CHEMBL2366221	IC50	5.62	5.62	2379.4	1
MPP-89 CHEMBL2366357	IC50	5.61	5.61	2483.6	1
G-401 CHEMBL613509	IC50	5.61	5.61	2471.9	1
697 CHEMBL2366253	IC50	5.58	5.58	2653.3	1
KARPAS-45 CHEMBL2366305	IC50	5.57	5.57	2707.5	1
MG-63 CHEMBL614347	IC50	5.53	5.53	2942.6	1
NTERA-2-cl-D1 CHEMBL614206	IC50	5.52	5.52	3034.7	1
G-402 CHEMBL1075446	IC50	5.5	5.5	3127.3	1
NKM-1 CHEMBL2366133	IC50	5.5	5.5	3135.6	1
RH-18 CHEMBL2366350	IC50	5.5	5.5	3196.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	1.0	nM	9.0	Inhibition of FGFR1 autophosphorylation in mouse NIH/3T3 cells assessed as reduc...	9774334
Fibroblast growth factor receptor 2	IC50	=	5.0	nM	8.3	Inhibition of FGFR2 (unknown origin)	27914362
Fibroblast growth factor receptor	IC50	=	7.0	nM	8.15	Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation	16000000
Unchecked	IC50	=	8.0	nM	8.1	Cytotoxicity against human SUM52 cells assessed as reduction in cell viability i...	34780700
NCI-H1581	IC50	=	12.25	nM	7.91	SANGER: Inhibition of human NCI-H1581 cell growth in a cell viability assay.	-
Unchecked	IC50	=	12.3	nM	7.91	Antiproliferative activity against human FGFR2-amplified SUM52 cells after 5 day...	28521156
Fibroblast growth factor receptor	IC50	=	15.0	nM	7.82	Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation	16000000
Fibroblast growth factor receptor 1	IC50	=	15.0	nM	7.82	Affinity On-target Cellular interaction: (Immunoblotting (inhibition of FGFR1 au...	-
Fibroblast growth factor receptor 1	IC50	=	19.0	nM	7.72	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ...	16000000
SUM185PE	IC50	=	20.0	nM	7.7	Anticancer activity against human SUM185PE cells assessed as cell growth inhibit...	33650861
Fibroblast growth factor receptor 1	EC50	=	21.0	nM	7.68	Inhibition of FGFR1 by cellular assay	18077425
Fibroblast growth factor receptor 1	IC50	=	21.5	nM	7.67	Inhibition of FGFR1 (unknown origin) in presence of ATP	9774334
Fibroblast growth factor receptor 1	IC50	=	21.5	nM	7.67	Affinity Biochemical interaction: (Enzymatic inhibition assay (5 uM ATP)) EUB000...	-
Fibroblast growth factor receptor 1	IC50	=	21.5	nM	7.67	Inhibition of FGFR1 (unknown origin)	33199155
Fibroblast growth factor receptor 1	IC50	=	21.5	nM	7.67	Inhibition of full length human FGFR1 expressed in baculovirus system using poly...	27326339
Fibroblast growth factor receptor 1	IC50	=	21.5	nM	7.67	Inhibition of recombinant full length human FGFR1 expressed in baculovirus infec...	27914362
Fibroblast growth factor receptor 1	IC50	=	21.5	nM	7.67	Inhibition of FGFR1	18077363
Fibroblast growth factor receptor 2	IC50	=	25.1	nM	7.6	Cellular target engagement assay with: FGFR2	-
Fibroblast growth factor receptor 1	IC50	=	26.2	nM	7.58	Cellular target engagement assay with: FGFR1	-
Fibroblast growth factor receptor 1	IC50	=	28.0	nM	7.55	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob...	16000000

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	Fibroblast	262
-	10.6019/CHEMBL4689842	U2OS	262
-	10.6019/CHEMBL4689842	HEK-293T	261
18077425	10.1073/pnas.0707498104	NON-PROTEIN TARGET	183
18077425	10.1073/pnas.0707498104	COLO	14
-	10.6019/CHEMBL5465560	Epidermal growth factor receptor	10
16474387	10.1038/nchembio769	Fibroblast growth factor receptor	7
-	10.6019/CHEMBL5465560	Tyrosine-protein kinase ABL1	7
9774334	10.1093/emboj/17.20.5896	Unchecked	6
9774334	10.1093/emboj/17.20.5896	Fibroblast growth factor receptor 1	6
18077425	10.1073/pnas.0707498104	HeLa	6
-	10.6019/CHEMBL5465560	Mast/stem cell growth factor receptor Kit	5
-	10.6019/CHEMBL5465560	Receptor-type tyrosine-protein kinase FLT3	5
9774334	10.1093/emboj/17.20.5896	Mus musculus	3
18077425	10.1073/pnas.0707498104	Unchecked	3
34780700	10.1021/acs.jmedchem.1c01163	Unchecked	3
28521156	10.1016/j.ejmech.2017.04.049	Fibroblast growth factor receptor 3	3
16000000	10.1021/jm0500931	Fibroblast growth factor receptor	3
16000000	10.1021/jm0500931	Fibroblast growth factor receptor 1	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2

Data from ChEMBL 36 via Core Engine