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Compound Detail

CHEMBL1984384

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c1ccc2c(c1)OCC(c1nnc3c4c5c(sc4ncn13)CCCC5)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1984384
Phase Preclinical
Structure Type MOL
InChI Key KUXDPBBIJNXFKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.73
ALogP
7
HBA
0
HBD
61.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O2S
MW 364.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.54

Data from ChEMBL 36 via Core Engine