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Compound Detail

CHEMBL1791296

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CSc1ccccc1SCO[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1791296
Phase Preclinical
Structure Type MOL
InChI Key CANHIQBWERUKSI-YWPYICTPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
2.55
ALogP
10
HBA
2
HBD
108.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5O3S2
MW 419.53
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.18

Literature References

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

Data from ChEMBL 36 via Core Engine