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Compound Detail

CHEMBL1621471

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CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1621471
Phase Preclinical
Structure Type MOL
InChI Key OKJGYJKUYOPDRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.6
MW (Da)
5.49
ALogP
3
HBA
0
HBD
7.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N2S2+
MW 365.55
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine