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Compound Detail

CHEMBL1206680

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COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206680
Phase Preclinical
Structure Type MOL
InChI Key VPKUTWDKTKEOSB-PLRJNAJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.6
MW (Da)
5.00
ALogP
9
HBA
1
HBD
117.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N2O7S
MW 534.59
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine