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Compound Detail

CHEMBL352355

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Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(-c3ccccc3)nc2OCCOc2ncc(Br)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL352355
Phase Preclinical
Structure Type MOL
InChI Key LIVFMEBNWMOQRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

674.6
MW (Da)
7.23
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H32BrN5O4S
MW 674.62
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
11738578 10.1016/s0960-894x(01)00682-5 Endothelin-1 receptor 1

Data from ChEMBL 36 via Core Engine