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Compound Detail

CHEMBL1197131

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C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197131
Phase Preclinical
Structure Type MOL
InChI Key GPSZYYQYTBZUGG-BIWSTMPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
2.83
ALogP
5
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22NO3S2+
MW 364.51
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine