Responsive image

Common name


Ixazomib

IUPAC name


2-{[(2,5-dichlorophenyl)(hydroxy)methylidene]amino}-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]ethanimidic acid

SMILES


[H][C@@](CC(C)C)(N=C(O)CN=C(O)C1=C(Cl)C=CC(Cl)=C1)B(O)O

Compound class


Antineoplastic Agents; Protease Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;

Therapeutic area


Ixazomib is indicated in combination with lenalidomide and dexamethasone for the treatment of patients with multiple myeloma who have received at least one prior therapy.

Common name


Ixazomib

IUPAC name


2-{[(2,5-dichlorophenyl)(hydroxy)methylidene]amino}-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]ethanimidic acid

SMILES


[H][C@@](CC(C)C)(N=C(O)CN=C(O)C1=C(Cl)C=CC(Cl)=C1)B(O)O

INCHI


InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1

FORMULA


C14H19BCl2N2O4

Responsive image

Common name


Ixazomib

IUPAC name


2-{[(2,5-dichlorophenyl)(hydroxy)methylidene]amino}-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]ethanimidic acid

Molecular weight


361.029

clogP


1.734

clogS


-2.737

HBond Acceptor


6

HBond Donor


4

Total Polar
Surface Area


105.64

Number of Rings


1

Rotatable Bond


7

Drug ID Common name Structure CAS SMILE Frequency
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00012 isobutane Responsive image C(C)(C)C 0.0611
FDBF00027 N-methylacetamide Responsive image N(C(=O)C)C 0.0175
FDBF00115 2-methylbutane Responsive image C(C)(C)CC 0.0103
FDBF00228 N-ethylacetamide Responsive image C(=O)(NCC)C 0.0089
FDBF00230 N-isopentylacetamide Responsive image C(C)(C)CCNC(=O)C 0.0010
FDBF04459 methylboronic acid Responsive image B(O)(O)C 0.0003
FDBF04461 ethylboronic acid Responsive image B(O)(O)CC 0.0003
FDBF04462 isopentylboronic acid Responsive image B(O)(O)CCC(C)C 0.0003
FDBF04463 2,5-dichlorobenzamide Responsive image c1c(cc(c(c1)Cl)C(=O)N)Cl 0.0003
13 , 2