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Compound Detail

CHEMBL1179458

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CCCc1cc2ccccc2nc1SCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179458
Phase Preclinical
Structure Type MOL
InChI Key ZBDMBROZBJQTSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
3.84
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2S
MW 274.43
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine