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Compound Detail

CHEMBL71276

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CCCCc1nc2c(C)ccnc2n1Cc1cc(Cl)c(O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL71276
Phase Preclinical
Structure Type MOL
InChI Key RVAYPSHVUIRBCM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
5.14
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19Cl2N3O
MW 364.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.04

Activity Summary

Kd 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus Kd = 10.0 nM 8.0 Potency of the Angiotensin II-induced contraction of rabbit aortic strips -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81149-5 Oryctolagus cuniculus 1
- 10.1016/S0960-894X(01)81149-5 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine