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Compound Detail

CHEMBL1204699

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O=C(O)CCSC(CCc1ccccc1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204699
Phase Preclinical
Structure Type MOL
InChI Key HGPNOCWAHWOYFE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.0
MW (Da)
7.35
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26ClNO3S
MW 492.04
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine