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Compound Detail

CHEMBL214924

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CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)n(C)c(=O)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214924
Phase Preclinical
Structure Type MOL
InChI Key LWBSJIKSQSETPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
5.14
ALogP
8
HBA
1
HBD
107.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N8O
MW 518.63
Aromatic Rings 6
Heavy Atoms 39
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
17064065 10.1021/jm0603163 Angiotensin II receptor (AT-1) type-1 1

Data from ChEMBL 36 via Core Engine