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Compound Detail

CHEMBL317343

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CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)c(Cl)c1Cl

Basic Information

ChEMBL ID CHEMBL317343
Phase Preclinical
Structure Type MOL
InChI Key WRHORTRJSBLTFQ-XNTDXEJSSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

493.4
MW (Da)
6.05
ALogP
5
HBA
2
HBD
92.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl2N2O4S
MW 493.41
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
IC50 9.8 9.8 0.2 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.6 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81116-1 Rattus norvegicus 3
- 10.1016/S0960-894X(01)81116-1 Type-1 angiotensin II receptor B 1
- 10.1016/S0960-894X(01)81116-1 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine