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Compound Detail

CHEMBL1207136

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C=C1C(COC(C)=O)=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207136
Phase Preclinical
Structure Type MOL
InChI Key IELGRVCMUPVQJH-JQPKSGMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
0.48
ALogP
7
HBA
1
HBD
130.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O7S
MW 390.37
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine