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Compound Detail

CHEMBL50773

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O=C(O)c1cnc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50773
Phase Preclinical
Structure Type MOL
InChI Key DHDZXDAVHSBVAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.30
ALogP
7
HBA
3
HBD
116.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N6O2S
MW 378.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.26

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