ABACAVIR HYDROXYACETATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B3C7MG354B

Structure
InChI Key ZBBZROWQLKCFQK-KOLCDFICSA-N
Smile Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](COC(=O)CO)C3)c2n1
InChI
InChI=1S/C16H20N6O3/c17-16-20-14(19-10-2-3-10)13-15(21-16)22(8-18-13)11-4-1-9(5-11)7-25-12(24)6-23/h1,4,8-11,23H,2-3,5-7H2,(H3,17,19,20,21)/t9-,11+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N6O3
Molecular Weight 344.38
AlogP 0.64
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 128.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297418
DrugBank DB12187
FDA SRS B3C7MG354B
PubChem 71605071
SureChEMBL SCHEMBL15099335
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