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Compound Detail

CHEMBL5028157

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O=C(CCn1c2ccccc2c2c[n+](Cc3ccccc3)ccc21)N1c2ccccc2Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028157
Phase Preclinical
Structure Type MOL
InChI Key VVHSKUVEDZEFPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.7
MW (Da)
7.35
ALogP
3
HBA
0
HBD
29.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H26N3OS+
MW 512.66
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine