SAPACITABINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W335P73C3L

Structure
InChI Key LBGFKUUHOPIEMA-PEARBKPGSA-N
Smile CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1
InChI
InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H42N4O5
Molecular Weight 490.65
AlogP 4.05
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 17.0
Polar Surface Area 137.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Lymphoma, T-Cell, Cutaneous 2 D016410 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 151823-14-2
ChEBI 145429
ChEMBL CHEMBL2105681
DrugBank DB06365
EPA CompTox DTXSID90164887
FDA SRS W335P73C3L
PubChem 153970
SureChEMBL SCHEMBL711854
ZINC ZINC000014263648
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