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Compound Detail

CHEMBL4594971

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O=C(O)CNc1cccc(CN(Cc2cc3ccccc3s2)S(=O)(=O)c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594971
Phase Preclinical
Structure Type MOL
InChI Key RDPSZYRBWTVZBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
3.58
ALogP
7
HBA
2
HBD
112.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O4S2
MW 468.56
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.84

Data from ChEMBL 36 via Core Engine