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Compound Detail

CHEMBL1791295

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CSc1ccccc1SCO[C@H]1C[C@H](n2cnc3c(O)nc(N)nc32)O[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1791295
Phase Preclinical
Structure Type MOL
InChI Key STGCQLQVIICJLB-MISXGVKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
2.25
ALogP
11
HBA
3
HBD
128.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5O4S2
MW 435.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
15456271 10.1021/jm049677d ADMET 2

Data from ChEMBL 36 via Core Engine