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Compound Detail

CHEMBL1198648

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CC[n+]1ccccc1/C=C1\Sc2ccc(C)cc2N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198648
Phase Preclinical
Structure Type MOL
InChI Key QVAMVTJLPMBGDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.84
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N2S+
MW 283.42
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine