MOMELOTINIB

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 6O01GMS00P

Structure
InChI Key ZVHNDZWQTBEVRY-UHFFFAOYSA-N
Smile N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChI
InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22N6O2
Molecular Weight 414.47
AlogP 2.98
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 103.17
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - 705 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase CRIK subfamily
- - 313 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- - 1362 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - 417 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 790 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - 597 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 531 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- - 2113 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- - 741 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PCTAIRE
- - 1382 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 1162 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 918 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 1137 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase RCK family CMGC protein kinase MAK
- - 720 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- - 1137 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 302 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- - 562 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 1281 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family Other protein kinase Nek1
- - 286 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- 100 286 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 619 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 291 - -
Enzyme Kinase Protein Kinase Other protein kinase group
- 100 1281 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR1
- 8 25 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 107-107 19-19 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 11-86 4.5-6.7 - 45-94.7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 11-86 4.5-6.7 - 45-94.7
Enzyme Transferase
- - 217 - 0.9103-8.86
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 40 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -5.68-19.86
Transcription factor
- 2500 - - -
Unclassified protein
- - 3 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Primary Myelofibrosis 3 D055728 ClinicalTrials
Carcinoma, Pancreatic Ductal 3 D021441 ClinicalTrials
Primary Myelofibrosis 3 D055728 ClinicalTrials
Thrombocythemia, Essential 2 D013920 ClinicalTrials
Polycythemia Vera 2 D011087 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91407
ChEMBL CHEMBL1078178
DrugBank DB11763
FDA SRS 6O01GMS00P
Guide to Pharmacology 7791
PDB C87
SureChEMBL SCHEMBL2237234
ZINC ZINC000043199890
CONTENTS