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Compound Detail

CHEMBL1183102

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C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183102
Phase Preclinical
Structure Type MOL
InChI Key RGKWYLVIZNCRIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.9
MW (Da)
5.04
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.72
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22ClN2S+
MW 333.91
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine