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Compound Detail

CHEMBL1899204

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COc1cccc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1899204
Phase Preclinical
Structure Type MOL
InChI Key PBGWZYORHVGCGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.79
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N2O3S
MW 388.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.49

Data from ChEMBL 36 via Core Engine