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Compound Detail

CHEMBL1187657

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c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N4CCOCC4)cc3)[s+]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187657
Phase Preclinical
Structure Type MOL
InChI Key SPRBZNASCMZFMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.7
MW (Da)
6.70
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31N2O2S+
MW 495.67
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine