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Compound Detail

CHEMBL1208086

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Cc1cc(C)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208086
Phase Preclinical
Structure Type MOL
InChI Key WBHUKLABQDSNEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
3.54
ALogP
7
HBA
4
HBD
152.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O5S
MW 451.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine