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Compound Detail

CHEMBL5915247

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O=C(c1ccc2c(ccn2-c2cccc(Cl)c2)c1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5915247
Phase Preclinical
Structure Type MOL
InChI Key JYDGFFBYTRTDAN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
4.91
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN2O
MW 338.84
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.70

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
15-hydroxyprostaglandin dehydrogenase [NAD(+)]
CHEMBL1293255
 IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
15-hydroxyprostaglandin dehydrogenase [NAD(+)] IC50 = 0.5 nM 9.3 Biochemical Assay: A hydroxyprostaglandin dehydrogenase inhibition screening bio... -

Data from ChEMBL 36 via Core Engine