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Compound Detail

CHEMBL4300535

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CC[n+]1c(/C=C/C=C/N2CCCc3ccccc32)sc2ccc3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300535
Phase Preclinical
Structure Type MOL
InChI Key IKYWHUQQPHNDJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.6
MW (Da)
6.34
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N2S+
MW 397.57
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine