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Compound Detail

CHEMBL1204697

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CC(CSC(CCc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204697
Phase Preclinical
Structure Type MOL
InChI Key MGJRCOWRBIRDII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

551.1
MW (Da)
7.50
ALogP
6
HBA
1
HBD
102.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27ClN2O5S
MW 551.06
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine