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Compound Detail

CHEMBL1623732

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Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3ccc(C)o3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1623732
Phase Preclinical
Structure Type MOL
InChI Key ONXQWSOZKQQZHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
4.88
ALogP
7
HBA
1
HBD
96.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N2O5S
MW 420.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.94

Data from ChEMBL 36 via Core Engine