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Compound Detail

CHEMBL1196996

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CN(CCc1ccccc1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196996
Phase Preclinical
Structure Type MOL
InChI Key LXFGBAKZVRFCIT-DNQXCXABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
5.39
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N2OS
MW 420.62
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine