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Compound Detail

CHEMBL1187654

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CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187654
Phase Preclinical
Structure Type MOL
InChI Key QKILZCKYJGKJNE-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

536.7
MW (Da)
3.79
ALogP
7
HBA
5
HBD
128.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H44N2O6S
MW 536.74
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine