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Compound Detail

CHEMBL150049

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CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2noc(S)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150049
Phase Preclinical
Structure Type MOL
InChI Key HRRMKHNTCGBOJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
6.22
ALogP
8
HBA
1
HBD
83.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N4O3S
MW 498.61
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
8978851 10.1021/jm960547h Unchecked 1
8978851 10.1021/jm960547h Angiotensin II receptor 1
8978851 10.1021/jm960547h Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine