Compound Detail

CHEMBL1078178

MOMELOTINIB

💊 Approved Drug

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💊 Approved Drug

N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1078178
Name	MOMELOTINIB
Phase	Approved
Structure Type	MOL
InChI Key	ZVHNDZWQTBEVRY-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

CYT-0387 CYT-11387 Cyt-387 CYT387 GS-0387 Momelotinib

Targets

132

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

414.5

MW (Da)

2.98

ALogP

HBA

HBD

103.2

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2023
Availability	Prescription
Chirality	Achiral

Routes of Administration

Oral

Flags

Natural Product

USAN Stem	-tinib
USAN Year	2011

Extended Properties

Molecular Formula	C23H22N6O2
MW	414.47
Aromatic Rings	3
Heavy Atoms	31
NP-Likeness	-1.88

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase JAK1 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK1	✓	✓
Tyrosine-protein kinase JAK2 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK2	✓	✓

Indications

Carcinoma, Pancreatic Ductal Neoplasms Primary Myelofibrosis Primary Myelofibrosis Polycythemia Vera Thrombocythemia, Essential Carcinoma, Non-Small-Cell Lung Leukemia, Myeloid

ATC Classification

L01EJ04

momelotinib

Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 84 meas. best 9.0

Kd 48 meas. best 8.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	9.0	9.0	1.0	1
Tyrosine-protein kinase JAK1 CHEMBL2835	IC50	8.8	7.8693	1.6	14
Uncharacterized protein FLJ45252 CHEMBL4105933	Kd	8.52	8.52	3.0	1
AP2-associated protein kinase 1 CHEMBL3830	Kd	8.4	8.4	4.0	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Kd	8.35	8.26	4.5	2
Activin receptor type-1 CHEMBL5903	IC50	8.1	8.1	8.0	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Kd	8.04	7.22	9.2	2
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	7.96	7.7033	11.0	15
Tyrosine-protein kinase JAK3 CHEMBL2148	Kd	7.72	7.72	19.0	1
Bone morphogenetic protein receptor type-1B CHEMBL5476	Kd	7.72	7.72	19.0	2
Activin receptor type-1 CHEMBL5903	Kd	7.6	7.6	25.0	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	IC50	7.52	7.29	30.0	4
Tyrosine-protein kinase JAK1 CHEMBL2835	Kd	7.14	7.14	72.0	1
Serine/threonine-protein kinase Nek9 CHEMBL5257	IC50	7.0	7.0	100.0	1
Bone morphogenetic protein receptor type-1B CHEMBL5476	IC50	6.97	6.97	107.0	2
Tyrosine-protein kinase JAK3 CHEMBL2148	IC50	6.87	6.7288	134.0	8
BaF3 CHEMBL614524	IC50	6.7	5.9625	200.0	8
Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529	Kd	6.7	6.7	200.0	1
TGF-beta receptor type-1 CHEMBL4439	IC50	6.69	6.69	205.0	2
AarF domain-containing protein kinase 1 CHEMBL4105885	Kd	6.66	6.66	217.0	1
Rho-associated protein kinase 2 CHEMBL2973	Kd	6.66	6.66	219.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.63	6.265	232.0	2
Serine/threonine-protein kinase Nek3 CHEMBL5679	Kd	6.54	6.54	286.0	1
Serine/threonine-protein kinase ULK3 CHEMBL5047	Kd	6.54	6.54	291.0	1
Casein kinase II subunit alpha' CHEMBL4070	Kd	6.52	6.52	302.0	1
Citron Rho-interacting kinase CHEMBL5579	Kd	6.5	6.5	313.0	1
Signal transducer and activator of transcription 5A CHEMBL5403	IC50	6.4	6.4	400.0	1
Bone morphogenetic protein receptor type-1A CHEMBL5275	IC50	6.39	6.39	405.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	6.38	6.38	422.0	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Kd	6.38	6.38	417.0	1
Serine/threonine-protein kinase Nek9 CHEMBL5257	Kd	6.32	6.32	474.0	1
Serine/threonine-protein kinase D2 CHEMBL4900	Kd	6.28	6.28	531.0	1
Serine/threonine-protein kinase TBK1 CHEMBL5408	Kd	6.25	6.25	562.0	1
Unchecked CHEMBL612545	Kd	6.23	6.23	584.0	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Kd	6.22	6.22	597.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	Kd	6.22	6.22	599.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Kd	6.21	6.21	619.0	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Kd	6.21	6.21	614.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Kd	6.19	6.19	650.0	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Kd	6.18	6.18	666.0	1
TGF-beta receptor type-1 CHEMBL4439	Kd	6.17	6.17	670.0	2
CMK CHEMBL2366177	IC50	6.16	6.16	700.0	1
Dynamin-like GTPase OPA1, mitochondrial CHEMBL4105705	Kd	6.15	6.15	705.0	1
Serine/threonine-protein kinase ICK CHEMBL1163126	Kd	6.14	6.14	720.0	1
Cyclin-dependent kinase 9 CHEMBL3116	Kd	6.13	6.13	741.0	1
Serine/threonine-protein kinase SIK2 CHEMBL5699	Kd	6.1	6.1	790.0	1
Cyclin-G-associated kinase CHEMBL4355	Kd	6.08	6.08	822.0	1
Serine/threonine-protein kinase SIK3 CHEMBL6149	Kd	6.07	6.07	859.0	1
Dual specificity protein kinase CLK1 CHEMBL4224	Kd	6.04	6.04	918.0	1
HEL CHEMBL613888	IC50	6.02	5.8	950.0	3

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	2410.0	ng.hr.mL-1	Rattus norvegicus
AUC	3570.0	ng.hr.mL-1	Rattus norvegicus
CL	6.3	mL.min-1.kg-1	Rattus norvegicus
CL	5.13	uL.min-1.(10^6cells)-1	Rattus norvegicus
CL	4.76	mL.min-1.kg-1	Rattus norvegicus
Cmax	40400.0	nM	Rattus norvegicus
Cmax	1133.98	nM	Rattus norvegicus
F	24.0	%	Rattus norvegicus
MRT	4.43	hr	Rattus norvegicus
MRT	1.55	hr	Rattus norvegicus
T1/2	2.4	hr	Rattus norvegicus
T1/2	2.22	hr	Rattus norvegicus
T1/2	1.25	hr	Rattus norvegicus
Tmax	4.0	hr	Rattus norvegicus
Tmax	1.0	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	1.0	nM	9.0	Antiproliferative activity against human CHRF-288-11 cells harboring JAK2T875N m...	19295546
Tyrosine-protein kinase JAK1	IC50	=	1.6	nM	8.8	Inhibition of JAK1 (unknown origin)	38838918
Uncharacterized protein FLJ45252	Kd	=	3.0	nM	8.52	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
AP2-associated protein kinase 1	Kd	=	4.0	nM	8.4	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase JAK2	Kd	=	4.5	nM	8.35	Binding affinity to recombinant human JAK2 kinase domain (840 to 1132 residues) ...	38843875
Tyrosine-protein kinase JAK2	Kd	=	6.7	nM	8.17	Binding affinity to recombinant human JAK2 kinase domain by fluorescence polariz...	38843875
Activin receptor type-1	IC50	=	8.0	nM	8.1	Biochemical Binding Assay: Biochemical binding assays (DiscoveRx) and in vitro e...	-
Non-receptor tyrosine-protein kinase TYK2	Kd	=	9.2	nM	8.04	Binding affinity to recombinant human TYK2 kinase domain by fluorescence polariz...	38843875
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of GST-tagged JAK1	19762238
Tyrosine-protein kinase JAK2	IC50	=	11.0	nM	7.96	Inhibition of JAK2 V617F mutant (JH1-JH2)	19762238
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of GST tagged JAK1 (unknown origin) expressed in insect cells	19295546
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of JAK1 (unknown origin)	38183778
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of GST-tagged JAK1 (unknown origin) expressed in insect cells	37793326
Tyrosine-protein kinase JAK2	IC50	=	11.0	nM	7.96	Inhibition of recombinant human JAK2 assessed as inhibition of substrate phospho...	38843875
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of recombinant GST-tagged JAK1 (unknown origin) expressed in baculovi...	32120325
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of JAK 1 (unknown origin)	33539089
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of JAK1 (unknown origin)	-
Tyrosine-protein kinase JAK1	IC50	=	11.0	nM	7.96	Inhibition of GST-tagged JAK1 (unknown origin) expressed in insect cells by Alph...	38838918
Tyrosine-protein kinase JAK2	IC50	=	15.0	nM	7.82	Inhibition of human JAK2 kinase domain	35413417
Tyrosine-protein kinase JAK2	IC50	=	18.0	nM	7.75	Inhibition of GST-tagged JAK2 (unknown origin) expressed in insect cells	37793326

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	U2OS	342
-	10.6019/CHEMBL4689842	HEK-293T	342
-	10.6019/CHEMBL4689842	Fibroblast	338
35413417	10.1016/j.bmcl.2022.128728	ADMET	16
29940115	10.1021/acs.jmedchem.8b00393	Candida albicans	12
26254279	10.18632/oncotarget.4214	JAK2/JAK1	9
38843875	10.1021/acs.jmedchem.4c00197	Tyrosine-protein kinase JAK2	7
29191878	10.1126/science.aan4368	Unchecked	5
19295546	10.1038/leu.2009.50	BaF3	5
29940115	10.1021/acs.jmedchem.8b00393	HEL	5
38843875	10.1021/acs.jmedchem.4c00197	Unchecked	5
19295546	10.1038/leu.2009.50	Unchecked	5
19295546	10.1038/leu.2009.50	RAF proto-oncogene serine/threonine-protein kinase	5
35413417	10.1016/j.bmcl.2022.128728	No relevant target	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
33691794	10.1186/s13148-021-01037-1	A549	4
29940115	10.1021/acs.jmedchem.8b00393	Mus musculus	4
19762238	10.1016/j.bmcl.2009.08.071	Rattus norvegicus	4
19295546	10.1038/leu.2009.50	Serine/threonine-protein kinase 24	4
35413417	10.1016/j.bmcl.2022.128728	Tyrosine-protein kinase JAK2	3

Data from ChEMBL 36 via Core Engine