Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B1E00KQ6NT

Structure

InChI Key ZMELOYOKMZBMRB-DLBZAZTESA-N
Smile C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1
InChI
InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30ClFN4O3
Molecular Weight 513.01
AlogP 3.98
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 65.86
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR MAP kinase p38 alpha inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 2 D009101 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 90683
ChEMBL CHEMBL514201
DrugBank DB05412
FDA SRS B1E00KQ6NT
Guide to Pharmacology 7817
PDB 469
PubChem 9871074
SureChEMBL SCHEMBL4779242
ZINC ZINC000034001955