GUADECITABINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2KT4YN1DP7

Structure
InChI Key GUWXKKAWLCENJA-WGWHJZDNSA-N
Smile Nc1ncn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O)[C@@H](CO)O2)c(=O)n1
InChI
InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24N9O10P
Molecular Weight 557.42
AlogP -2.63
Hydrogen Bond Acceptor 17.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 278.07
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Carcinoma, Renal Cell 1 D002292 ClinicalTrials
Neoplasms, Germ Cell and Embryonal 1 D009373 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 929901-49-5
ChEMBL CHEMBL3544916
DrugBank DB11918
FDA SRS 2KT4YN1DP7
PubChem 135564655
SureChEMBL SCHEMBL20581350
ZINC ZINC000043203165
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