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Compound Detail

CHEMBL111022

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CCC(CC)CN1CCC(S(=O)(=O)CCCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111022
Phase Preclinical
Structure Type MOL
InChI Key LYRHDYQTICWWLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
4.24
ALogP
7
HBA
2
HBD
108.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N4O4S
MW 488.65
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine