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Compound Detail

CHEMBL110938

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O=S(=O)(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCN(Cc2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110938
Phase Preclinical
Structure Type MOL
InChI Key JAJDVAOOUCCSCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
2.82
ALogP
7
HBA
2
HBD
111.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26FN5O4S
MW 499.57
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.58

Data from ChEMBL 36 via Core Engine