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Compound Detail

CHEMBL1183002

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CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183002
Phase Preclinical
Structure Type MOL
InChI Key JJWUXIBQLMPOIX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

593.9
MW (Da)
9.30
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H61N2O4S+
MW 593.94
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 0.28

Data from ChEMBL 36 via Core Engine