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Compound Detail

CHEMBL31997

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COc1ccc(CO[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31997
Phase Preclinical
Structure Type MOL
InChI Key BIPGSFPDFZLUIK-RBUKOAKNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.8
MW (Da)
4.01
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.90
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 C19H22ClNO2
MW 331.84
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10360744 10.1016/s0960-894x(99)00195-x Renin 1

Data from ChEMBL 36 via Core Engine