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Compound Detail

CHEMBL1198682

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C=CC[n+]1c(C=C2C=CN(C)C=C2)sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198682
Phase Preclinical
Structure Type MOL
InChI Key RNOXLOWOGZUEFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.73
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.61
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 C17H17N2S+
MW 281.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine