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Compound Detail

CHEMBL1181431

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CC[S+]1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181431
Phase Preclinical
Structure Type MOL
InChI Key MMVRJSFVMXZCEG-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
0.87
ALogP
4
HBA
2
HBD
98.5
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 C15H23N2O4S2+
MW 359.49
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine