ELACYTARABINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TA7WJG93AR

Structure
InChI Key FLFGNMFWNBOBGE-FNNZEKJRSA-N
Smile CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H45N3O6
Molecular Weight 507.67
AlogP 4.03
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 18.0
Polar Surface Area 136.9
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

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
Melanoma 2 D008545 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 188181-42-2
ChEMBL CHEMBL2105665
DrugBank DB05494
FDA SRS TA7WJG93AR
PubChem 6438895
SureChEMBL SCHEMBL15140172
CONTENTS