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Compound Detail

CHEMBL1180878

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CCCCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2cccc(C[n+]3csc(C)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180878
Phase Preclinical
Structure Type MOL
InChI Key BCTUMLHUKMKGET-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

563.9
MW (Da)
9.43
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H51N2O2S+
MW 563.87
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine