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Compound Detail

CHEMBL386257

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NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)Nc1ccc2c(c1)CN(CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)[C@H](Cc1ccc(O)cc1)N2

Basic Information

ChEMBL ID CHEMBL386257
Phase Preclinical
Structure Type MOL
InChI Key VYAYICSGIZHEJX-WYLSNLDWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

994.1
MW (Da)
-0.71
ALogP
13
HBA
12
HBD
383.0
PSA (Ų)
0.02
QED
3
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H59N13O11
MW 994.08
Aromatic Rings 4
Heavy Atoms 72
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
14761188 10.1021/jm030921v Angiotensin II receptor (AT-1) type-1 1
14761188 10.1021/jm030921v Type-2 angiotensin II receptor 1
15943474 10.1021/jm0491492 Angiotensin II receptor (AT-1) type-1 1
15943474 10.1021/jm0491492 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine