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Compound Detail

CHEMBL5200888

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O=C(Nc1cccc(O)c1)Nc1ccc(Cl)cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL5200888
Phase Preclinical
Structure Type MOL
InChI Key JJUPLPWLNINRPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.7
MW (Da)
3.60
ALogP
4
HBA
3
HBD
104.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10ClN3O4
MW 307.69
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.17 4.17 68000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 68000.0 nM 4.17 Inhibition of full length recombinant His6 tagged human RUVBL1/2 expressed in Es... 35364523

Literature References

PubMed DOI Target Context # Activities
35364523 10.1016/j.bmc.2022.116726 RuvB-like 1 1
35364523 10.1016/j.bmc.2022.116726 RuvB-like 2 1
35364523 10.1016/j.bmc.2022.116726 Unchecked 1

Data from ChEMBL 36 via Core Engine