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Compound Detail

CHEMBL1184882

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C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184882
Phase Preclinical
Structure Type MOL
InChI Key AFLBGAQHDSOPKA-UXHICEINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
4.26
ALogP
2
HBA
0
HBD
9.2
PSA (Ų)
0.77
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 C21H26NOS+
MW 340.51
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.68

Data from ChEMBL 36 via Core Engine