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Compound Detail

CHEMBL1186922

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CN(C)c1ccc2nc3ccc(N4CCSCC4)cc3[o+]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186922
Phase Preclinical
Structure Type MOL
InChI Key MLGGRZOIZLJNSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.88
ALogP
4
HBA
0
HBD
30.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N3OS+
MW 326.45
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine