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Compound Detail

CHEMBL1178522

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CCn1c(=O)/c(=C2\Sc3ccc4ccccc4c3N2C)s/c1=C\c1sc2c3ccccc3ccc2[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178522
Phase Preclinical
Structure Type MOL
InChI Key DFEUBRUFFWKQBD-OWWNRXNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.8
MW (Da)
5.89
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H26N3OS3+
MW 552.77
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine