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Compound Detail

CHEMBL49579

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CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1c(C(=O)O)cnn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49579
Phase Preclinical
Structure Type MOL
InChI Key ZOMXJIWADDYFMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.77
ALogP
7
HBA
2
HBD
112.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N7O2
MW 431.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81141-0 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine