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Compound Detail

CHEMBL299095

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CCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1OCc1nn[nH]n1)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299095
Phase Preclinical
Structure Type MOL
InChI Key DKZVMSFPFHQYJP-IZLXSDGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

545.5
MW (Da)
3.49
ALogP
10
HBA
2
HBD
141.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5O7
MW 545.55
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
11425549 10.1016/s0960-894x(01)00273-6 Endothelin-1 receptor 1
11425549 10.1016/s0960-894x(01)00273-6 Endothelin receptor type B 1

Data from ChEMBL 36 via Core Engine