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Compound Detail

CHEMBL1616589

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CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CC1CCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616589
Phase Preclinical
Structure Type MOL
InChI Key ZVMSOAPMDAUXKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
4.41
ALogP
3
HBA
0
HBD
16.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N2OS+
MW 353.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine