NEFLAMAPIMOD

Search structure
Synonyms:
745
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TYL52QM320

Structure
InChI Key VEPKQEUBKLEPRA-UHFFFAOYSA-N
Smile O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl
InChI
InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H9Cl2F2N3OS
Molecular Weight 436.27
AlogP 5.49
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 47.26
Molecular species None
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR MAP kinase p38 alpha inhibitor PubMed
Primary Target
mitogen-activated protein kinase 14
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 ROCK subfamily
- - - - 8
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - - 0
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - - - 0
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - - - 13
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - - - 0
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - - - 0
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - - - 5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - - - 0
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- - - - 12
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - - - 0
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - - - 0
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - - - 1
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- - - - 0
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- - - - 0
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- - - - 0
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - - - 10
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 9-25119 3-3 1 84
Enzyme Kinase Protein Kinase Other protein kinase group
- - - - 0
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - - - 0
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - - - 0
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - - - 0
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - 710-7200 - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 1100-1100 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - - 7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - 1600-6200 - 16
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fer family
- - - - 7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - 20
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 870-8400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - 1200-1300 - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- - - - 0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Dementia 2 D003704 ClinicalTrials
Huntington Disease 2 D006816 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 209410-46-8
ChEBI 90528
ChEMBL CHEMBL119385
DrugBank DB07138
EPA CompTox DTXSID90175115
FDA SRS TYL52QM320
Guide to Pharmacology 5719
PDB 52P
PubChem 3038525
SureChEMBL SCHEMBL156367
ZINC ZINC000013493055
CONTENTS