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Compound Detail

CHEMBL1256472

CYTARABINE HYDROCHLORIDE
🧪 Phase III
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🧪 Phase III
Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1

Basic Information

ChEMBL ID CHEMBL1256472
Name CYTARABINE HYDROCHLORIDE
Phase Phase III
Structure Type MOL
InChI Key KCURWTAZOZXKSJ-JBMRGDGGSA-N
Parent Compound CHEMBL803
Active Moiety CHEMBL803

Known Names

Cytarabine hcl Cytarabine hydrochloride Cytosine arabinoside hydrochloride NSC-63878 U-19920A
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
5
Known Names
3
Indications

Molecular Properties

243.2
MW (Da)
-2.56
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -arabine
USAN Year 1964

Extended Properties

Molecular Formula C9H14ClN3O5
MW 279.68
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.65

Indications

Leukemia, Myeloid, Acute Leukemia Leukemia, Myeloid

Activity Summary

EC50 3 meas. best 6.97
IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.97 6.58 108.0 3
Unchecked
CHEMBL612545
IC50 5.89 5.89 1299.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17417631 10.1038/nchembio873 Unchecked 1

Data from ChEMBL 36 via Core Engine