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Compound Detail

CHEMBL314861

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CCCCc1ncc2n1[C@H](c1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)C[C@@H](Br)[C@@H]2N1C(=O)CCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314861
Phase Preclinical
Structure Type MOL
InChI Key KGMMOLLERJANFT-UTWUQGRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

816.8
MW (Da)
9.33
ALogP
8
HBA
0
HBD
98.8
PSA (Ų)
0.07
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H42BrN7O2
MW 816.80
Aromatic Rings 7
Heavy Atoms 57
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80290-0 Type-1 angiotensin II receptor B 1

Data from ChEMBL 36 via Core Engine