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Compound Detail

CHEMBL1205067

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COc1ccc(C(=O)/C(Cc2ccccc2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205067
Phase Preclinical
Structure Type MOL
InChI Key MWACTTXVBXORAV-QOCHGBHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.66
ALogP
6
HBA
1
HBD
89.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N2O4S
MW 430.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine