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Compound Detail

CHEMBL456733

CHONDRIAMIDE C
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O=C(/C=C/c1c[nH]c2ccccc12)N/C=C\c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL456733
Name CHONDRIAMIDE C
Phase Preclinical
Structure Type MOL
InChI Key UEIGNTNIVBVSQQ-PVHUKWJHSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.45
ALogP
1
HBA
3
HBD
60.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O
MW 327.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.30

Activity Summary

EC50 1 meas. best 4.05
IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 2
CHEMBL370
IC50 6.0 6.0 1000.0 1
Nippostrongylus brasiliensis
CHEMBL613822
EC50 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9868166 10.1021/np980114c Nippostrongylus brasiliensis 1
25462257 10.1016/j.ejmech.2014.10.065 Human alphaherpesvirus 2 1

Data from ChEMBL 36 via Core Engine