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Compound Detail

CHEMBL1198175

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Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(SCc2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198175
Phase Preclinical
Structure Type MOL
InChI Key QTILLCBVUCKHPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
5.89
ALogP
3
HBA
0
HBD
26.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25NOPS+
MW 466.57
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine