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Compound Detail

CHEMBL111704

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CCC(CC)CN1CCN(S(=O)(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111704
Phase Preclinical
Structure Type MOL
InChI Key RNLHXGYNSKVGGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
2.92
ALogP
7
HBA
2
HBD
111.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33N5O4S
MW 475.62
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine