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Compound Detail

CHEMBL349256

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCO)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL349256
Phase Preclinical
Structure Type BOTH
InChI Key VKJWYJXEBDQFSI-INZXXBNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

899.1
MW (Da)
-1.83
ALogP
12
HBA
11
HBD
351.7
PSA (Ų)
0.03
QED
3
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H66N12O10
MW 899.06
Aromatic Rings 2
Heavy Atoms 64
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
10782679 10.1016/s0960-894x(00)00079-2 Angiotensin II receptor (AT-1) type-1 1

Data from ChEMBL 36 via Core Engine