EXATECAN MESYLATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D2VJ1CC26Q

Structure
InChI Key FXQZOHBMBQTBMJ-MWPGLPCQSA-N
Smile CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CS(=O)(=O)O.O.O
InChI
InChI=1S/C24H22FN3O4.CH4O3S.2H2O/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4;;/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4);2*1H2/t16-,24-;;;/m0.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30FN3O9S
Molecular Weight 567.59
AlogP 2.47
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 107.44
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Liver Neoplasms 2 D008113 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31587
ChEMBL CHEMBL3989759
FDA SRS D2VJ1CC26Q
PubChem 151114
SureChEMBL SCHEMBL4422967
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