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Compound Detail

CHEMBL1194327

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CC[N+](C)(CC)Cc1cc(/N=c2\ccn(C)cc2S(=O)(=O)N(C)C)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194327
Phase Preclinical
Structure Type MOL
InChI Key YYPBSUKTXWVUQH-ZBJSNUHESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
2.50
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33N4O3S+
MW 421.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine