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Compound Detail

CHEMBL1180827

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CCCCCOc1c(OC)cc(CN(C(C)=O)c2cccc(C[n+]3csc(C)c3)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180827
Phase Preclinical
Structure Type MOL
InChI Key IBJVMSQOXZKKHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
5.53
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35N2O4S+
MW 483.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine