COBIMETINIB FUMARATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6EXI96H8SV

Structure
InChI Key RESIMIUSNACMNW-BXRWSSRYSA-N
Smile O=C(O)/C=C/C(=O)O.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
InChI
InChI=1S/2C21H21F3IN3O2.C4H4O4/c2*22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17;5-3(6)1-2-4(7)8/h2*4-7,9,17,26-27,30H,1-3,8,10-11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*17-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H46F6I2N6O8
Molecular Weight 1178.7
AlogP 3.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 64.6
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
11.8
General disorders and administration site conditions
11.33
Gastrointestinal disorders
10.93
Nervous system disorders
7.11
Infections and infestations
6.02
Investigations
5.56
Immune system disorders
5.26
Respiratory, thoracic and mediastinal disorders
4.99
Vascular disorders
4.67
Metabolism and nutrition disorders
4.35
Cardiac disorders
4.33
Injury, poisoning and procedural complications
4.16
Musculoskeletal and connective tissue disorders
3.61
Eye disorders
3.59
Renal and urinary disorders
2.86
Psychiatric disorders
2.22

Cross References

Resources Reference
ChEBI 90853
ChEMBL CHEMBL2364607
FDA SRS 6EXI96H8SV
PubChem 71491931
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