CARFILZOMIB

Search structure
Synonyms:
Status: Approved (2009)
Entry Type: Protein
Molecule Category: UKNOWN
ATC: L01XG02
UNII: 72X6E3J5AR

Structure
InChI Key BLMPQMFVWMYDKT-NZTKNTHTSA-N
Smile CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChI
InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H57N5O7
Molecular Weight 719.92
AlogP 2.58
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 20.0
Polar Surface Area 158.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 52.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 26S proteosome inhibitor FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 490-17000 - 11000-11000 14
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A5
- 490-17000 - 11000-11000 14
Enzyme Oxidoreductase
- 490-17000 - 11000-11000 14
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 11000 - - -
Enzyme Protease Cysteine protease Cysteine protease CD clan Cysteine protease C14 family
- - - - 34
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - -
Enzyme Protease Metallo protease Metallo protease MP clan Metallo protease M67 family Metallo protease M67A subfamily
- 9 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- - - - 19
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 3-24 - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1B subfamily
- 2420-2940 - - -
Enzyme
- 3-24 - 11000-11000 14
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 92100 - - -
Other cytosolic protein
- 9 - - -
Unclassified protein
- 9 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 4 D009101 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Waldenstrom Macroglobulinemia 3 D008258 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Graft vs Host Disease 2 D006086 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Carcinoma, Neuroendocrine 2 D018278 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Leukemia, Plasma Cell 1 D007952 ClinicalTrials
Plasmacytoma 1 D010954 ClinicalTrials
Leukemia, Prolymphocytic 1 D015463 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Lymphoma, T-Cell, Peripheral 1 D016411 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Sezary Syndrome 1 D012751 ClinicalTrials
Mycosis Fungoides 1 D009182 ClinicalTrials
Amyloidosis 1 D000686 ClinicalTrials
Amyloidosis 1 D000686 ClinicalTrials
Hodgkin Disease 1 D006689 ClinicalTrials

Cross References

Resources Reference
ChEBI 65347
ChEMBL CHEMBL451887
DrugBank DB08889
DrugCentral 4483
EPA CompTox DTXSID4048690
FDA SRS 72X6E3J5AR
Guide to Pharmacology 7420
PharmGKB PA166165203
SureChEMBL SCHEMBL85165
ZINC ZINC000049841054
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