CEDIRANIB MALEATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 68AYS9A614

Structure
InChI Key JRMGHBVACUJCRP-BTJKTKAUSA-N
Smile COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C25H27FN4O3.C4H4O4/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30;5-3(6)1-2-4(7)8/h6-7,12-15,29H,3-5,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H31FN4O7
Molecular Weight 566.59
AlogP 5.22
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 72.5
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lung Neoplasms 3 D008175 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Gliosarcoma 2 D018316 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Thyroid Neoplasms 1 D013964 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103798
FDA SRS 68AYS9A614
PubChem 11226834
SureChEMBL SCHEMBL1218427
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