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Compound Detail

CHEMBL3307197

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C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3307197
Phase Preclinical
Structure Type MOL
InChI Key JDXOBSYZOUGBBE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
5.05
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20Cl2N3O2S+
MW 413.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine