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Compound Detail

CHEMBL374751

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O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cn2ccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374751
Phase Preclinical
Structure Type MOL
InChI Key IFUZFWPUVIVQDR-VXKWHMMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
2.35
ALogP
5
HBA
2
HBD
104.5
PSA (Ų)
0.55
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 C25H26N4O4
MW 446.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
17358051 10.1021/jm0613469 Angiotensin II receptor (AT-1) type-1 1
17358051 10.1021/jm0613469 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine