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Compound Detail

CHEMBL437155

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C[C@@]12CCCC[C@]1(C)N(C(=O)[C@H]1Cc3ccccc3CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(NC(N)C=N)cc1)[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C2

Basic Information

ChEMBL ID CHEMBL437155
Phase Preclinical
Structure Type MOL
InChI Key SCDVIEZBCXPKAU-JPRIPFPXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1351.6
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C64H90N18O13S
MW 1351.60

Activity Summary

Kd 1 meas. best 9.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B2 bradykinin receptor
CHEMBL3157
Kd 9.58 9.58 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B2 bradykinin receptor Kd = 0.263 nM 9.58 Antagonist effect against bradykinin B2 receptor was determined in rabbit jugula... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80847-7 B2 bradykinin receptor 1

Data from ChEMBL 36 via Core Engine