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Compound Detail

CHEMBL415983

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CCCCc1nc2ccc(C(O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL415983
Phase Preclinical
Structure Type MOL
InChI Key VPYMDXUSIYFZJY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
5.71
ALogP
7
HBA
2
HBD
109.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34N6O2
MW 522.65
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80243-2 Angiotensin II receptor 1
29656203 10.1016/j.ejmech.2018.03.076 Angiotensinogen 1
29656203 10.1016/j.ejmech.2018.03.076 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine