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Compound Detail

CHEMBL4302143

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CCn1c(=O)/c(=C2\Sc3cc(C(F)(F)F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302143
Phase Preclinical
Structure Type MOL
InChI Key CSEISRMGAOJJKA-ZNTNEXAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

532.7
MW (Da)
4.48
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21F3N3OS3+
MW 532.66
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine