FOSGEMCITABINE PALABENAMIDE, P(RS)-

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XCL1K2T28K

Structure
InChI Key NHTKGYOMICWFQZ-KKQYNPQSSA-N
Smile C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1
InChI
InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27F2N4O8P
Molecular Weight 580.48
AlogP 2.64
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 164.23
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Biliary Tract Neoplasms 3 D001661 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3126004
DrugBank DB15057
FDA SRS XCL1K2T28K
PubChem 11169170
SureChEMBL SCHEMBL16769342
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