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Compound Detail

CHEMBL1741071

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COc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1741071
Phase Preclinical
Structure Type MOL
InChI Key UTSRSFVHJOAISY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
3.05
ALogP
8
HBA
3
HBD
145.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O7S
MW 454.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine