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Compound Detail

CHEMBL1208113

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Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208113
Phase Preclinical
Structure Type MOL
InChI Key ADIFFDVVLPNKRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
2.31
ALogP
8
HBA
5
HBD
189.9
PSA (Ų)
0.23
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N3O7S
MW 453.43
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine