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Compound Detail

CHEMBL1205077

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COc1cc(C/C(C(=O)c2ccc3c(c2)CCO3)=C(/C(=O)O)c2ccc3nsnc3c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205077
Phase Preclinical
Structure Type MOL
InChI Key QDDAAKKJENZVTJ-PLRJNAJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
4.62
ALogP
9
HBA
1
HBD
117.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N2O7S
MW 532.57
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine