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Compound Detail

CHEMBL2030677

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030677
Phase Preclinical
Structure Type MOL
InChI Key ZDJRZILXSJGZDV-DLFHIMGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

589.3
MW (Da)
-3.92
ALogP
16
HBA
9
HBD
311.8
PSA (Ų)
0.13
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N5O15P2
MW 589.34
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.27

Literature References

PubMed DOI Target Context # Activities
22248345 10.1021/jm201571p Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1 2

Data from ChEMBL 36 via Core Engine