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Compound Detail

CHEMBL1181387

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O=C(CCCC[n+]1ccccc1)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181387
Phase Preclinical
Structure Type MOL
InChI Key VLYIDQKUDBVVJE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

576.7
MW (Da)
5.46
ALogP
7
HBA
1
HBD
127.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26N3O6S2+
MW 576.68
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine