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Compound Detail

CHEMBL1185518

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CCN1/C(=C/C=c2\s/c(=C\c3sc4ccccc4[n+]3CC)n(C)c2=O)Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185518
Phase Preclinical
Structure Type MOL
InChI Key HNGYRDSKZGHKMK-HHQODBOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
3.34
ALogP
6
HBA
0
HBD
38.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N3O2S2+
MW 462.62
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine