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Compound Detail

CHEMBL1789625

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COc1ccc(CN2CCN(Cc3ccc(C(=O)N=C(N)N)cc3S(N)(=O)=O)CC2)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789625
Phase Preclinical
Structure Type MOL
InChI Key PIQOPDGLMWCFLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
0.09
ALogP
8
HBA
3
HBD
175.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N6O6S
MW 520.61
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine