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Compound Detail

CHEMBL1205104

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COc1ccc(C(=O)/C(Cc2ccc(OC(C)(C)C)cc2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205104
Phase Preclinical
Structure Type MOL
InChI Key OGAHWRPAUCHOSI-LVWGJNHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
5.84
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N2O5S
MW 502.59
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine