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Compound Detail

CHEMBL3139999

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CCn1c(=O)/c(=C2\Sc3cc(OC)ccc3N2C)s/c1=C\c1cccc[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139999
Phase Preclinical
Structure Type MOL
InChI Key YVOOFAZACOPGCX-XUTLUUPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
1.90
ALogP
6
HBA
0
HBD
38.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N3O2S2+
MW 412.56
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine