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Compound Detail

CHEMBL1622006

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CCC(CO)N1C(C)=CC(=Cc2sc3ccccc3[n+]2Cc2ccccc2)C=C1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622006
Phase Preclinical
Structure Type MOL
InChI Key PJDVXTSULBUVCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
5.51
ALogP
3
HBA
1
HBD
27.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N2OS+
MW 417.60
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine