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Compound Detail

CHEMBL1184608

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CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2cccc(C[n+]3csc(C)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184608
Phase Preclinical
Structure Type MOL
InChI Key CPLRQHTXZRAMKC-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.8
MW (Da)
8.65
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H47N2O2S+
MW 535.82
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine