Compound Detail

CHEMBL3622533

FIMEPINOSTAT

🧪 Phase II

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🧪 Phase II

COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3622533
Name	FIMEPINOSTAT
Phase	Phase II
Structure Type	MOL
InChI Key	JOWXJLIFIIOYMS-UHFFFAOYSA-N

Known Names

Cudc 907 Cudc-907 CUDC907 Fimepinostat

Targets

149

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

508.6

MW (Da)

2.14

ALogP

HBA

HBD

138.7

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem	-stat
USAN Year	2017

Extended Properties

Molecular Formula	C23H24N8O4S
MW	508.56
Aromatic Rings	4
Heavy Atoms	36
NP-Likeness	-1.86

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
PI3-kinase p110-delta subunit inhibitor	INHIBITOR	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	✓	✓
PI3-kinase p110-beta subunit inhibitor	INHIBITOR	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	✓	✓
PI3-kinase p110-alpha subunit inhibitor	INHIBITOR	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	✓	✓
Histone deacetylase inhibitor	INHIBITOR	Histone deacetylase	✓	✓

Indications

Lymphoma Pituitary ACTH Hypersecretion Thyroid Neoplasms Thyroid Neoplasms Lymphoma, Large B-Cell, Diffuse

Activity Summary

IC50 139 meas. best 9.44

EC50 10 meas. best 9.15

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histone deacetylase 1 CHEMBL325	IC50	9.44	8.823	0.4	10
MV4-11 CHEMBL613835	IC50	9.37	9.37	0.4	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	9.15	9.15	0.7	7
Histone deacetylase 8 CHEMBL3192	IC50	8.85	7.186	1.4	5
Histone deacetylase 2 CHEMBL1937	IC50	8.8	8.3375	1.6	8
Histone deacetylase 3 CHEMBL1829	IC50	8.74	8.73	1.8	4
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363	IC50	8.74	8.615	1.8	2
CFPAC-1 CHEMBL613506	IC50	8.7	8.7	2.0	1
LNCaP C4-2 CHEMBL4296460	IC50	8.7	8.7	2.0	1
LNCaP C4-2B CHEMBL4296461	IC50	8.7	8.7	2.0	1
KYSE-30 CHEMBL4513130	IC50	8.7	8.7	2.0	1
LNCaP CHEMBL612518	IC50	8.7	8.7	2.0	1
ASPC1 CHEMBL612588	IC50	8.7	8.7	2.0	1
HPAC CHEMBL612595	IC50	8.7	8.7	2.0	1
CWR22R CHEMBL612657	IC50	8.7	8.7	2.0	1
LAPC4 CHEMBL613292	IC50	8.7	8.7	2.0	1
PC-3 CHEMBL390	IC50	8.7	8.7	2.0	1
DU-145 CHEMBL613508	IC50	8.7	7.475	2.0	2
KYSE-510 CHEMBL613868	IC50	8.7	8.7	2.0	1
KYSE-150 cell line CHEMBL613998	IC50	8.7	8.7	2.0	1
PANC-1 CHEMBL614139	IC50	8.7	8.7	2.0	1
BXPC-3 CHEMBL614530	IC50	8.7	8.7	2.0	1
MIA PaCa-2 CHEMBL614725	IC50	8.7	8.7	2.0	1
KYSE-450 CHEMBL1075488	IC50	8.7	8.7	2.0	1
Polyamine deacetylase HDAC10 CHEMBL5103	IC50	8.55	8.5229	2.8	7
HCT-8 CHEMBL613510	IC50	8.3	8.3	5.0	1
Histone deacetylase 11 CHEMBL3310	IC50	8.3	7.52	5.0	7
HCT-116 CHEMBL394	IC50	8.3	8.3	5.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	8.21	8.17	6.2	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	8.2	7.6733	6.3	3
Histone deacetylase CHEMBL2093865	IC50	8.17	8.17	6.8	1
Capan-2 CHEMBL1075417	IC50	8.15	8.15	7.0	1
U-87 MG CHEMBL614247	IC50	8.15	8.15	7.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	8.1	7.69	7.9	6
Histone deacetylase 6 CHEMBL1865	IC50	8.1	7.3811	8.0	9
MDA-MB-453 CHEMBL614334	IC50	8.05	8.05	9.0	1
Bel-7402 CHEMBL614279	IC50	7.89	7.89	13.0	1
HepG2 CHEMBL395	IC50	7.82	7.82	15.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	7.8	7.4267	16.0	6
PI3-kinase p110-alpha/p85-alpha CHEMBL2111367	IC50	7.72	7.72	19.0	3
NCI-H1299 CHEMBL612255	IC50	7.6	7.6	25.0	1
Histone deacetylase 7 CHEMBL2716	IC50	7.57	6.6475	27.0	4
PI3-kinase p110-delta/p85-alpha CHEMBL2111432	IC50	7.41	7.17	39.0	4
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	7.41	6.87	39.0	6
MCF7 CHEMBL387	IC50	7.39	7.39	41.0	1
HGC-27 CHEMBL1075463	IC50	7.39	7.39	41.0	1
PI3K p110 beta/p85 alpha CHEMBL3038510	IC50	7.27	7.27	54.0	2
Histone deacetylase 1/2/3 CHEMBL3430897	EC50	6.9	6.9	126.2	1
NCI-H460 CHEMBL396	IC50	6.82	6.82	150.0	1
SW1990 CHEMBL1075592	IC50	6.75	6.75	180.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
t1/2	-	-	Homo sapiens
t1/2	-	-	Mus musculus
t1/2	-	-	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histone deacetylase 1	IC50	=	0.36	nM	9.44	Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expr...	31117517
MV4-11	IC50	=	0.43	nM	9.37	Cytotoxicity against human MV4-11 cells assessed as growth inhibition after 24 h...	27186676
NON-PROTEIN TARGET	EC50	=	0.7	nM	9.15	Cytotoxicity against human Glioma cells (HF2885) after 72 hrs by CelltiterGlo as...	26288699
NON-PROTEIN TARGET	EC50	=	0.7	nM	9.15	Cytotoxicity against human Glioma cells (HF2876) after 72 hrs by CelltiterGlo as...	26288699
NON-PROTEIN TARGET	EC50	=	0.7	nM	9.15	Cytotoxicity against human Glioma cells (HF2790) after 72 hrs by CelltiterGlo as...	26288699
NON-PROTEIN TARGET	EC50	=	0.7	nM	9.15	Cytotoxicity against human Glioma cells (HF2476) after 72 hrs by CelltiterGlo as...	26288699
NON-PROTEIN TARGET	EC50	=	0.7	nM	9.15	Cytotoxicity against human Glioma cells (HF2381) after 72 hrs by CelltiterGlo as...	26288699
NON-PROTEIN TARGET	EC50	=	0.7	nM	9.15	Cytotoxicity against human Glioma cells (HF2303) after 72 hrs by CelltiterGlo as...	26288699
NON-PROTEIN TARGET	EC50	=	0.7	nM	9.15	Cytotoxicity against human Glioma cells (HF3013) after 72 hrs by CelltiterGlo as...	26288699
Histone deacetylase 8	IC50	=	1.4	nM	8.85	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expresse...	31117517
Histone deacetylase 2	IC50	=	1.6	nM	8.8	Inhibition of recombinant human full length HDAC2 expressed in baculovirus infec...	31117517
Histone deacetylase 1	IC50	=	1.7	nM	8.77	Inhibition of HDAC1 (unknown origin) by color-de-lys assay	32961382
Histone deacetylase 1	IC50	=	1.7	nM	8.77	Inhibition of HDAC1 (unknown origin) by Color-de-Lys assay	37989057
Histone deacetylase 1	IC50	=	1.7	nM	8.77	Inhibition of HDAC1 (unknown origin) by fluorescence based assay	38183777
Histone deacetylase 1	IC50	=	1.7	nM	8.77	Inhibition of HDAC1 derived from human HeLa nuclear extract using COLOR DE LYS s...	33143937
Histone deacetylase 1	IC50	=	1.7	nM	8.77	Inhibition of HDAC1 (unknown origin)	33714914
Histone deacetylase 1	IC50	=	1.7	nM	8.77	Inhibition of HDAC1 (unknown origin)	30418766
Histone deacetylase 1	IC50	=	1.7	nM	8.77	Inhibition of human recombinant HDAC1 (482 residues) by Color-de-Lys assay	27186676
Histone deacetylase 3	IC50	=	1.8	nM	8.74	Inhibition of HDAC3 (unknown origin) by HTRF assay	38183777
Histone deacetylase 3	IC50	=	1.8	nM	8.74	Inhibition of HDAC3 (unknown origin)	33714914

Literature References

PubMed	DOI	Target Context	# Activities
26288699	10.1021/acsmedchemlett.5b00128	NON-PROTEIN TARGET	7
29360358	10.1021/acs.jmedchem.7b01465	Unchecked	6
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL5096127	Schistosoma mansoni	4
33691794	10.1186/s13148-021-01037-1	A549	4
-	10.6019/CHEMBL4808148	Histone deacetylase 6	4
29360358	10.1021/acs.jmedchem.7b01465	ADMET	3
29360358	10.1021/acs.jmedchem.7b01465	Histone deacetylase 6	3
27186676	10.1021/acs.jmedchem.6b00579	Histone deacetylase 6	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
37875056	10.1016/j.ejmech.2023.115879	KYSE-450	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
29360358	10.1021/acs.jmedchem.7b01465	Histone deacetylase	2
27186676	10.1021/acs.jmedchem.6b00579	NON-PROTEIN TARGET	2
37875056	10.1016/j.ejmech.2023.115879	BXPC-3	2
27186676	10.1021/acs.jmedchem.6b00579	Histone deacetylase 1	1
27186676	10.1021/acs.jmedchem.6b00579	Histone deacetylase 11	1
27186676	10.1021/acs.jmedchem.6b00579	Polyamine deacetylase HDAC10	1
27186676	10.1021/acs.jmedchem.6b00579	Histone deacetylase 9	1
27186676	10.1021/acs.jmedchem.6b00579	Histone deacetylase 8	1

Data from ChEMBL 36 via Core Engine