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Compound Detail

CHEMBL2219982

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COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219982
Phase Preclinical
Structure Type MOL
InChI Key AOWDEXMOARHNIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.26
ALogP
5
HBA
1
HBD
33.7
PSA (Ų)
0.91
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 C18H22N2O2S
MW 330.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine