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Compound Detail

CHEMBL1184177

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C[S+]([O-])c1ccc(C(=O)CC2CCN(Cc3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184177
Phase Preclinical
Structure Type MOL
InChI Key FDANJYRCEXIYKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.91
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.58
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 C21H25NO2S
MW 355.50
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine