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Compound Detail

CHEMBL1383732

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COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OC(C(=O)Nc3cc(C)cc(C)c3)c3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1383732
Phase Preclinical
Structure Type MOL
InChI Key FLJQLYIKJDKYRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.7
MW (Da)
5.67
ALogP
6
HBA
1
HBD
102.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30N2O6S
MW 558.66
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine