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Compound Detail

CHEMBL1494017

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O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1494017
Phase Preclinical
Structure Type MOL
InChI Key AIEZKTDMVNDTBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
3.34
ALogP
6
HBA
0
HBD
79.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20FN5O2S
MW 449.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.12

Data from ChEMBL 36 via Core Engine