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Compound Detail

CHEMBL297637

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Cc1nc2c(n1Cc1ccc(-n3cccc3-c3nn[nH]n3)cc1)/C(=C/C(=O)O)CCCC2

Basic Information

ChEMBL ID CHEMBL297637
Phase Preclinical
Structure Type MOL
InChI Key VVFWPAJOSJSVCX-GHRIWEEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.41
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N7O2
MW 429.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.22

Activity Summary

Kd 1 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
Kd 8.9 8.9 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor Kd = 1.259 nM 8.9 Evaluated in vitro for antagonism of AII induced contraction of isolated rabbit ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80581-3 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine