Compound Detail

CHEMBL482968

ENMD-2076

🧪 Phase II

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🧪 Phase II

Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL482968
Name	ENMD-2076
Phase	Phase II
Structure Type	MOL
InChI Key	BLQYVHBZHAISJM-CMDGGOBGSA-N

Known Names

Enmd 2076 Enmd-2076 L-(+) TARTRATE SALT OF ENMD-981693

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

375.5

MW (Da)

3.17

ALogP

HBA

HBD

73.0

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C21H25N7
MW	375.48
Aromatic Rings	3
Heavy Atoms	28
NP-Likeness	-1.30

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serine/threonine-protein kinase Aurora-A inhibitor	INHIBITOR	Aurora kinase A	✓	✓
Serine/threonine-protein kinase Aurora-B inhibitor	INHIBITOR	Aurora kinase B	✓	✓
Vascular endothelial growth factor receptor 2 inhibitor	INHIBITOR	Vascular endothelial growth factor receptor 2	✓	✓
Fibroblast growth factor receptor 3 inhibitor	INHIBITOR	Fibroblast growth factor receptor 3	✓	✓
Tyrosine-protein kinase receptor FLT3 inhibitor	INHIBITOR	Receptor-type tyrosine-protein kinase FLT3	✓	✓
Stem cell growth factor receptor inhibitor	INHIBITOR	Mast/stem cell growth factor receptor Kit	✓	✓
Macrophage colony stimulating factor receptor inhibitor	INHIBITOR	Macrophage colony-stimulating factor 1 receptor	✓	✓

Indications

Adenocarcinoma, Clear Cell Breast Neoplasms Carcinoma, Hepatocellular Fallopian Tube Neoplasms Ovarian Neoplasms Peritoneal Neoplasms Sarcoma Hematologic Neoplasms Multiple Myeloma Neoplasms

Activity Summary

IC50 42 meas. best 8.73

Kd 24 meas. best 8.1

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	8.73	8.66	1.9	3
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	8.1	8.1	8.0	1
Signal recognition particle receptor subunit alpha CHEMBL4105934	Kd	8.1	8.1	8.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	8.0	7.11	10.0	2
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	8.0	7.625	10.0	2
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	8.0	8.0	10.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.0	7.72	10.0	2
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	8.0	7.85	10.0	2
Aurora kinase A CHEMBL4722	IC50	7.85	7.8382	14.0	11
Focal adhesion kinase 1 CHEMBL2695	IC50	7.26	7.26	55.0	1
Aurora kinase A CHEMBL4722	Kd	7.1	7.1	80.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	7.09	6.81	81.0	2
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.03	7.03	93.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	6.92	6.92	120.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Kd	6.89	6.89	129.0	1
High affinity nerve growth factor receptor CHEMBL2815	Kd	6.69	6.69	206.0	1
Aurora kinase B CHEMBL2185	Kd	6.61	6.61	245.0	1
Aurora kinase B CHEMBL2185	IC50	6.54	6.4983	290.0	6
Fibroblast growth factor receptor 1 CHEMBL3650	Kd	6.39	6.39	409.0	1
Tyrosine-protein kinase Yes CHEMBL2073	Kd	6.36	6.36	441.0	1
MDA-MB-231 CHEMBL400	IC50	6.32	5.8	480.0	2
Serine/threonine-protein kinase ULK3 CHEMBL5047	Kd	6.32	6.32	476.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	6.31	6.31	487.0	1
PC-3 CHEMBL390	IC50	6.17	6.17	670.0	1
Serine/threonine-protein kinase 16 CHEMBL3938	Kd	6.15	6.15	702.0	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	6.12	6.12	755.0	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Kd	5.92	5.92	1196.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	5.83	5.83	1488.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Kd	5.73	5.73	1858.0	1
TGF-beta receptor type-2 CHEMBL4267	Kd	5.63	5.63	2348.0	1
A549 CHEMBL392	IC50	5.58	5.58	2650.0	1
Serine/threonine-protein kinase Nek9 CHEMBL5257	Kd	5.53	5.53	2977.0	1
Tyrosine-protein kinase Lck CHEMBL258	Kd	5.53	5.53	2962.0	1
5'-AMP-activated protein kinase subunit gamma-1 CHEMBL2393	Kd	5.53	5.53	2950.0	1
Tyrosine-protein kinase Fyn CHEMBL1841	Kd	5.52	5.52	3016.0	1
Unchecked CHEMBL612545	IC50	5.52	5.52	2990.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	5.47	5.47	3421.0	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	5.42	5.42	3783.0	1
Casein kinase II subunit alpha' CHEMBL4070	Kd	5.36	5.36	4414.0	1
Unchecked CHEMBL612545	Kd	5.25	5.25	5575.0	1
HeLa CHEMBL399	IC50	5.04	5.04	9020.0	1
L02 CHEMBL4296457	IC50	4.37	4.37	42620.0	1
SJSA-1 CHEMBL2366298	IC50	4.25	4.25	56670.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1.86	nM	8.73	Inhibition of FLT3 (unknown origin)	31614258
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1.86	nM	8.73	Inhibition of recombinant human FLT3	30502115
Receptor-type tyrosine-protein kinase FLT3	IC50	=	3.0	nM	8.52	Inhibition of Flt3	19320489
Signal recognition particle receptor subunit alpha	Kd	=	8.0	nM	8.1	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Receptor-type tyrosine-protein kinase FLT3	Kd	=	8.0	nM	8.1	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Platelet-derived growth factor receptor alpha	IC50	=	10.0	nM	8.0	Inhibition of recombinant human GST-tagged PDGFR alpha (550 to 1089 residues) ex...	31614258
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	10.0	nM	8.0	Inhibition of recombinant human GST-tagged RET expressed in baculovirus expressi...	31614258
Vascular endothelial growth factor receptor 2	IC50	=	10.0	nM	8.0	Inhibition of recombinant human His-tagged VEGFR 2 expressed in baculovirus expr...	31614258
Proto-oncogene tyrosine-protein kinase Src	IC50	=	10.0	nM	8.0	Inhibition of recombinant human full length His-tagged Src expressed in baculovi...	31614258
Macrophage colony-stimulating factor 1 receptor	IC50	=	10.0	nM	8.0	Inhibition of recombinant human His-tagged FMS expressed in baculovirus expressi...	31614258
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of aurora A kinase	19320489
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of aurora A (unknown origin)	25369539
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of recombinant human Aurora A	30502115
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of recombinant human full length His-tagged Aurora A expressed in bac...	30241010
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of Aurora A kinase (unknown origin)	28918096
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of recombinant full length His-tagged human aurora A using peptide su...	31614258
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of Aurora A (unknown origin)	32058239
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of aurora A	20573509
Aurora kinase A	IC50	=	14.0	nM	7.85	Inhibition of recombinant human Aurora A using peptide substrate in presence of ...	32035750
Aurora kinase A	IC50	=	15.28	nM	7.82	Inhibition of Aurora A (unknown origin) incubated for 1 hrs by HTRF assay	32058239

Literature References

PubMed	DOI	Target Context	# Activities
29191878	10.1126/science.aan4368	Unchecked	5
33691794	10.1186/s13148-021-01037-1	A549	4
19320489	10.1021/jm8012129	Tyrosine-protein kinase ABL1	2
28918096	10.1016/j.ejmech.2017.08.045	Unchecked	2
32058239	10.1016/j.ejmech.2020.112108	Aurora kinase B	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
33488969	10.1021/acsmedchemlett.0c00517	Fibroblast growth factor receptor 3	2
32058239	10.1016/j.ejmech.2020.112108	Aurora kinase A	2
37207533	10.1016/j.ejmech.2023.115457	MDA-MB-231	2
20573509	10.1016/j.bmcl.2010.04.119	Aurora kinase B	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 11	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 10	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
25369539	10.1021/jm501326k	Aurora kinase A	1
25369539	10.1021/jm501326k	Aurora kinase B	1
20573509	10.1016/j.bmcl.2010.04.119	Aurora kinase A	1
19320489	10.1021/jm8012129	Receptor-type tyrosine-protein kinase FLT3	1
19320489	10.1021/jm8012129	Vascular endothelial growth factor receptor 2	1
19320489	10.1021/jm8012129	Proto-oncogene tyrosine-protein kinase Src	1
19320489	10.1021/jm8012129	Mast/stem cell growth factor receptor Kit	1

Data from ChEMBL 36 via Core Engine