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Compound Detail

CHEMBL1622391

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O=C(c1ccccc1)c1c2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622391
Phase Preclinical
Structure Type MOL
InChI Key GRPXMPJLCXRKPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
6.67
ALogP
2
HBA
0
HBD
21.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H16NOS+
MW 414.51
Aromatic Rings 6
Heavy Atoms 31
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine