Compound Detail

CHEMBL551064

AEW-541

Phase I

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Phase I

Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](N2CCC2)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL551064
Name	AEW-541
Phase	Phase I
Structure Type	MOL
InChI Key	USVCWSAJUAARAL-MEMLXQNLSA-N

Known Names

AEW 541 Aew-541 NVP-AEW 541 NVP-AEW541

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Mechanisms

Molecular Properties

425.5

MW (Da)

4.67

ALogP

HBA

HBD

69.2

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Extended Properties

Molecular Formula	C26H27N5O
MW	425.54
Aromatic Rings	4
Heavy Atoms	32
NP-Likeness	-0.51

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Insulin-like growth factor I receptor inhibitor	INHIBITOR	Insulin-like growth factor 1 receptor	✓	✓

Activity Summary

Kd 25 meas. best 8.3

IC50 4 meas. best 7.07

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase ATR CHEMBL5024	Kd	8.3	8.3	5.0	1
Serine/threonine-protein kinase N3 CHEMBL3627581	Kd	7.64	7.64	23.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	7.07	7.07	86.0	1
Insulin receptor CHEMBL3187	IC50	6.85	6.85	140.0	1
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	6.84	6.84	146.0	1
Insulin-like growth factor 1 receptor CHEMBL5381	IC50	6.82	6.82	150.0	1
Tyrosine-protein kinase Yes CHEMBL2073	Kd	6.47	6.47	337.0	1
Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014	Kd	6.45	6.45	355.0	1
Tyrosine-protein kinase HCK CHEMBL3234	Kd	6.21	6.21	623.0	1
Atypical kinase COQ8A, mitochondrial CHEMBL5550	Kd	6.08	6.08	835.0	1
Activin receptor type-1 CHEMBL5903	Kd	5.92	5.92	1202.0	1
Bone morphogenetic protein receptor type-1B CHEMBL5476	Kd	5.84	5.84	1442.0	1
Protein-tyrosine kinase 6 CHEMBL4601	Kd	5.71	5.71	1939.0	1
Insulin receptor CHEMBL1981	IC50	5.64	5.64	2300.0	1
Tyrosine-protein kinase Lyn CHEMBL3905	Kd	5.61	5.61	2445.0	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	5.6	5.6	2494.0	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Kd	5.48	5.48	3326.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Kd	5.45	5.45	3555.0	1
Serine/threonine-protein kinase 4 CHEMBL4598	Kd	5.42	5.42	3774.0	1
Serine/threonine-protein kinase LATS1 CHEMBL6167	Kd	5.41	5.41	3879.0	1
Insulin receptor CHEMBL1981	Kd	5.39	5.39	4041.0	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Kd	5.34	5.34	4575.0	1
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Kd	5.24	5.24	5762.0	1
Ferrochelatase, mitochondrial CHEMBL3879831	Kd	5.19	5.19	6501.0	1
Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199	Kd	5.19	5.19	6453.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	Kd	5.01	5.01	9769.0	1
Rho-associated protein kinase 2 CHEMBL2973	Kd	4.74	4.74	18265.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	4.63	4.63	23155.0	1
Casein kinase I isoform epsilon CHEMBL4937	Kd	4.22	4.22	60523.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase ATR	Kd	=	5.0	nM	8.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase N3	Kd	=	23.0	nM	7.64	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Insulin-like growth factor 1 receptor	IC50	=	86.0	nM	7.07	Inhibition of IGF1R by cell based assay	19610618
Insulin receptor	IC50	=	140.0	nM	6.85	Inhibition of insulin receptor-mediated proliferation of mouse NIH/3T3 cells aft...	19610618
Dual specificity mitogen-activated protein kinase kinase 5	Kd	=	146.0	nM	6.84	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Insulin-like growth factor 1 receptor	IC50	=	150.0	nM	6.82	Inhibition of IGF1R-mediated proliferation of mouse NIH/3T3 cells after 48 hrs b...	19610618
Tyrosine-protein kinase Yes	Kd	=	337.0	nM	6.47	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Receptor-interacting serine/threonine-protein kinase 2	Kd	=	355.0	nM	6.45	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase HCK	Kd	=	623.0	nM	6.21	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Atypical kinase COQ8A, mitochondrial	Kd	=	835.0	nM	6.08	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Activin receptor type-1	Kd	=	1202.0	nM	5.92	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Bone morphogenetic protein receptor type-1B	Kd	=	1442.0	nM	5.84	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Protein-tyrosine kinase 6	Kd	=	1939.0	nM	5.71	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Insulin receptor	IC50	=	2300.0	nM	5.64	Inhibition of insulin receptor by cell based assay	19610618
Tyrosine-protein kinase Lyn	Kd	=	2445.0	nM	5.61	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitogen-activated protein kinase kinase kinase kinase 5	Kd	=	2494.0	nM	5.6	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Dual specificity mitogen-activated protein kinase kinase 1	Kd	=	3326.0	nM	5.48	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Proto-oncogene tyrosine-protein kinase Src	Kd	=	3555.0	nM	5.45	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase 4	Kd	=	3774.0	nM	5.42	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase LATS1	Kd	=	3879.0	nM	5.41	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
19610618	10.1021/jm9002395	Unchecked	6
29191878	10.1126/science.aan4368	Unchecked	4
19610618	10.1021/jm9002395	Insulin-like growth factor 1 receptor	2
19610618	10.1021/jm9002395	Insulin receptor	2
29191878	10.1126/science.aan4368	Long-chain-fatty-acid--CoA ligase 5	1
29191878	10.1126/science.aan4368	Mitogen-activated protein kinase kinase kinase 20	1
29191878	10.1126/science.aan4368	AarF domain-containing protein kinase 1	1
29191878	10.1126/science.aan4368	Activin receptor type-2B	1
29191878	10.1126/science.aan4368	Activin receptor type-1B	1
29191878	10.1126/science.aan4368	Activin receptor type-1	1
29191878	10.1126/science.aan4368	Actin-related protein 3	1
29191878	10.1126/science.aan4368	Actin-related protein 2	1
19610618	10.1021/jm9002395	Epidermal growth factor receptor	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 3	1
29191878	10.1126/science.aan4368	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 10	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL1	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
19610618	10.1021/jm9002395	Mast/stem cell growth factor receptor Kit	1

Data from ChEMBL 36 via Core Engine