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Compound Detail

CHEMBL48870

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CCCc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)sc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48870
Phase Preclinical
Structure Type MOL
InChI Key XZFFBSDBQCWSIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.25
ALogP
7
HBA
3
HBD
116.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O2S
MW 420.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.24

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