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Compound Detail

CHEMBL3559201

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O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559201
Phase Preclinical
Structure Type MOL
InChI Key LLPYCIXHQOFZRV-FRQRHGNXSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.7
MW (Da)
4.47
ALogP
5
HBA
2
HBD
49.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N2O2S3+
MW 473.71
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine