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Compound Detail

CHEMBL269157

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CN(C)/C(=N\C#N)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21

Basic Information

ChEMBL ID CHEMBL269157
Phase Preclinical
Structure Type MOL
InChI Key GCEOZHFFNHJZTB-VKAVYKQESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.59
ALogP
5
HBA
0
HBD
91.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N4O3
MW 300.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.35

Activity Summary

EC50 2 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
EC50 7.29 7.29 51.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80551-5 Rattus norvegicus 2
- 10.1016/S0960-894X(01)80551-5 Cavia porcellus 2
- 10.1016/S0960-894X(00)80297-8 Cavia porcellus 2
- 10.1016/S0960-894X(00)80297-8 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine