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Compound Detail

CHEMBL69768

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CCCc1nc2ncccc2n1Cc1cc(Cl)c(O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL69768
Phase Preclinical
Structure Type MOL
InChI Key OAAOFGOXQBDSPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.2
MW (Da)
4.44
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15Cl2N3O
MW 336.22
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.10

Activity Summary

Kd 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus Kd = 794.33 nM 6.1 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 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine