Compound Detail

CHEMBL2140408

AMG-900

Phase I

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Phase I

Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2140408
Name	AMG-900
Phase	Phase I
Structure Type	MOL
InChI Key	IVUGFMLRJOCGAS-UHFFFAOYSA-N

Known Names

Amg 900 Amg-900 AMG900

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

503.6

MW (Da)

6.64

ALogP

HBA

HBD

111.7

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Chemical Probe

Extended Properties

Molecular Formula	C28H21N7OS
MW	503.59
Aromatic Rings	6
Heavy Atoms	37
NP-Likeness	-1.13

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serine/threonine-protein kinase Aurora inhibitor	INHIBITOR	Serine/threonine-protein kinase Aurora	✓	✓

Indications

Leukemia, Myeloid Neoplasms

Activity Summary

Kd 38 meas. best 8.15

IC50 3 meas. best 9.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Aurora kinase C CHEMBL3935	IC50	9.0	9.0	1.0	1
Aurora kinase B CHEMBL2185	IC50	8.4	8.4	4.0	1
Aurora kinase A CHEMBL4722	IC50	8.3	8.3	5.0	1
Aurora kinase A CHEMBL4722	Kd	8.15	8.15	7.0	1
Aurora kinase B CHEMBL2185	Kd	7.7	7.7	20.0	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	6.96	6.96	110.0	1
Tyrosine-protein kinase Fes/Fps CHEMBL5455	Kd	6.9	6.9	127.0	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Kd	6.73	6.73	186.0	1
Serine/threonine-protein kinase ULK1 CHEMBL6006	Kd	6.72	6.72	190.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	6.53	6.53	298.0	1
Mitogen-activated protein kinase 14 CHEMBL260	Kd	6.13	6.13	735.0	1
Protein kinase C delta type CHEMBL2996	Kd	5.96	5.96	1092.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	5.94	5.94	1139.0	1
Dual specificity protein kinase CLK3 CHEMBL4226	Kd	5.83	5.83	1479.0	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	5.77	5.77	1710.0	1
Serine/threonine-protein kinase TAO3 CHEMBL5701	Kd	5.75	5.75	1766.0	1
Calcium/calmodulin-dependent protein kinase type IV CHEMBL2494	Kd	5.74	5.74	1817.0	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Kd	5.72	5.72	1896.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	5.72	5.72	1899.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Kd	5.72	5.72	1912.0	1
Mitogen-activated protein kinase kinase kinase 2 CHEMBL5914	Kd	5.71	5.71	1966.0	1
Breakpoint cluster region protein CHEMBL5146	Kd	5.71	5.71	1968.0	1
Ribosomal protein S6 kinase alpha-4 CHEMBL3125	Kd	5.68	5.68	2069.0	1
Ribosomal protein S6 kinase alpha-5 CHEMBL4237	Kd	5.67	5.67	2153.0	1
Serine/threonine-protein kinase Nek1 CHEMBL5855	Kd	5.62	5.62	2381.0	1
Dual specificity protein kinase CLK1 CHEMBL4224	Kd	5.61	5.61	2458.0	1
Serine/threonine-protein kinase B-raf CHEMBL5145	Kd	5.61	5.61	2482.0	1
Cyclin-dependent kinase 13 CHEMBL1795192	Kd	5.6	5.6	2507.0	1
DNA topoisomerase 2-beta CHEMBL3396	Kd	5.59	5.59	2597.0	1
MAP kinase-activated protein kinase 2 CHEMBL2208	Kd	5.57	5.57	2686.0	1
Thyroid hormone receptor-associated protein 3 CHEMBL4105820	Kd	5.56	5.56	2746.0	1
Mitogen-activated protein kinase kinase kinase 3 CHEMBL5970	Kd	5.56	5.56	2747.0	1
Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285	Kd	5.55	5.55	2792.0	1
Cyclin-dependent kinase 12 CHEMBL3559692	Kd	5.53	5.53	2977.0	1
Serine/threonine-protein kinase 26 CHEMBL5941	Kd	5.52	5.52	3023.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	Kd	5.49	5.49	3218.0	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Kd	5.48	5.48	3314.0	1
Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959	Kd	5.47	5.47	3353.0	1
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Kd	5.46	5.46	3488.0	1
Uncharacterized protein FLJ45252 CHEMBL4105933	Kd	5.45	5.45	3556.0	1
Serine/threonine-protein kinase D2 CHEMBL4900	Kd	5.25	5.25	5673.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
F	31.0	%	Mus musculus
F	31.0	%	Rattus norvegicus
F	31.0	%	Canis lupus familiaris
F	31.0	%	Macaca mulatta
T1/2	0.6	hr	Mus musculus
T1/2	0.6	hr	Rattus norvegicus
T1/2	0.6	hr	Canis lupus familiaris
T1/2	0.6	hr	Macaca mulatta

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Aurora kinase C	IC50	=	1.0	nM	9.0	Inhibition of Aurora C kinase (unknown origin)	28918096
Aurora kinase B	IC50	=	4.0	nM	8.4	Inhibition of recombinant aurora B (unknown origin)	28918096
Aurora kinase A	IC50	=	5.0	nM	8.3	Inhibition of Aurora A kinase (unknown origin)	28918096
Aurora kinase A	Kd	=	7.0	nM	8.15	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Aurora kinase B	Kd	=	20.0	nM	7.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Epithelial discoidin domain-containing receptor 1	Kd	=	110.0	nM	6.96	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase Fes/Fps	Kd	=	127.0	nM	6.9	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitogen-activated protein kinase kinase kinase kinase 2	Kd	=	186.0	nM	6.73	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase ULK1	Kd	=	190.0	nM	6.72	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Discoidin domain-containing receptor 2	Kd	=	298.0	nM	6.53	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitogen-activated protein kinase 14	Kd	=	735.0	nM	6.13	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Protein kinase C delta type	Kd	=	1092.0	nM	5.96	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Proto-oncogene tyrosine-protein kinase receptor Ret	Kd	=	1139.0	nM	5.94	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Dual specificity protein kinase CLK3	Kd	=	1479.0	nM	5.83	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitogen-activated protein kinase kinase kinase kinase 5	Kd	=	1710.0	nM	5.77	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase TAO3	Kd	=	1766.0	nM	5.75	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Calcium/calmodulin-dependent protein kinase type IV	Kd	=	1817.0	nM	5.74	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase ABL1	Kd	=	1899.0	nM	5.72	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase D3	Kd	=	1912.0	nM	5.72	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase TAO1	Kd	=	1896.0	nM	5.72	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5303304	U2OS	8
36413818	10.1016/j.ejmech.2022.114904	Aurora kinase B	7
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
29191878	10.1126/science.aan4368	Unchecked	5
-	10.6019/CHEMBL5303304	Fibroblast	5
33691794	10.1186/s13148-021-01037-1	A549	4
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	3
36413818	10.1016/j.ejmech.2022.114904	Aurora kinase A	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
28918096	10.1016/j.ejmech.2017.08.045	Mus musculus	2
28918096	10.1016/j.ejmech.2017.08.045	Canis familiaris	2
28918096	10.1016/j.ejmech.2017.08.045	Rhesus monkey	2
28918096	10.1016/j.ejmech.2017.08.045	Rattus norvegicus	2
-	10.6019/CHEMBL5303304	HEK-293T	2
29191878	10.1126/science.aan4368	Activin receptor type-1	1
29191878	10.1126/science.aan4368	Activin receptor type-1-like	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	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 11	1

Data from ChEMBL 36 via Core Engine