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Compound Detail

CHEMBL4282423

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NC(=S)N/N=C1\CNc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4282423
Phase Preclinical
Structure Type MOL
InChI Key CTBAJOWZFJGIKF-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
0.65
ALogP
3
HBA
3
HBD
62.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N4S
MW 206.27
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
29287249 10.1016/j.ejmech.2017.12.024 Unchecked 2
29287249 10.1016/j.ejmech.2017.12.024 ATP-dependent translocase ABCB1 1
29287249 10.1016/j.ejmech.2017.12.024 Sigma intracellular receptor 2 1
29287249 10.1016/j.ejmech.2017.12.024 Panc02 1
29287249 10.1016/j.ejmech.2017.12.024 MIA PaCa-2 1
29287249 10.1016/j.ejmech.2017.12.024 BXPC-3 1
29287249 10.1016/j.ejmech.2017.12.024 ASPC1 1
29287249 10.1016/j.ejmech.2017.12.024 PANC-1 1

Data from ChEMBL 36 via Core Engine