XL-019

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4L1AM42NVA

Structure
InChI Key ISOCDPQFIXDIMS-UHFFFAOYSA-N
Smile O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1
InChI
InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28N6O2
Molecular Weight 444.54
AlogP 3.41
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 91.41
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK2 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase CRIK subfamily
- - 3619 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- - 3974 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase NDR family
- - 3790 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - 1609 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 206 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- - 354 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 98 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 2957 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 844 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase nmo subfamily
- - 27 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 7149 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- - 561 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 20 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family Other protein kinase Nek1
- - 353 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - 2186 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 908 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 297 - -
Enzyme Kinase Protein Kinase Other protein kinase group
- - 20 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LISK family TKL protein kinase LIMK subfamily
- - 3242 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - - - 64.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 1118 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 1328 - -
Enzyme Kinase Protein Kinase
- - 1118 - 64.5
Enzyme Transferase
- - 1595 - -
Unclassified protein
- - 7 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Polycythemia Vera 1 D011087 ClinicalTrials
Thrombocythemia, Essential 1 D013920 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Myeloproliferative Disorders 1 D009196 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545328
FDA SRS 4L1AM42NVA
PubChem 57990869
SureChEMBL SCHEMBL4379072
CONTENTS