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Compound Detail

CHEMBL1187664

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O=[N+]([O-])c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187664
Phase Preclinical
Structure Type MOL
InChI Key PYENYCNAXULFMV-RBBKRZOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
4.98
ALogP
7
HBA
0
HBD
79.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN3O4S
MW 459.96
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine