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Compound Detail

CHEMBL2220268

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Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220268
Phase Preclinical
Structure Type MOL
InChI Key KOCIMJYSVMTYIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.5
MW (Da)
3.86
ALogP
3
HBA
1
HBD
15.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2S
MW 298.46
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine