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Compound Detail

CHEMBL293976

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COc1ccccc1CNCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCNCc1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293976
Phase Preclinical
Structure Type MOL
InChI Key BQGXBEAAIGHWKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

731.2
MW (Da)
10.17
ALogP
8
HBA
4
HBD
66.6
PSA (Ų)
0.04
QED
2
Ro5 Violations
37
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H74N4O2S2
MW 731.21
Aromatic Rings 2
Heavy Atoms 50
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine