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Compound Detail

CHEMBL2078782

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CCOc1ccc2cc(-c3nn(C4CCN(S(C)(=O)=O)CC4)c4ncnc(N)c34)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078782
Phase Preclinical
Structure Type MOL
InChI Key OJTHYXAIGLCWGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
3.22
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N6O3S
MW 466.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.33

Data from ChEMBL 36 via Core Engine