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Compound Detail

CHEMBL1928284

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Nc1nc2ncc(CNCCN3CCC(SC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)CC3)nc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1928284
Phase Preclinical
Structure Type MOL
InChI Key KWIHONXLDHOYOZ-YMYXXHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

584.7
MW (Da)
-1.38
ALogP
16
HBA
6
HBD
232.1
PSA (Ų)
0.12
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 C24H32N12O4S
MW 584.67
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
22169600 10.1016/j.bmc.2011.11.032 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase 2

Data from ChEMBL 36 via Core Engine