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Compound Detail

CHEMBL5856725

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O=C(c1cnc2c(ccn2-c2cnccn2)c1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5856725
Phase Preclinical
Structure Type MOL
InChI Key PPSAMSXDVXOEQQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
2.44
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O
MW 307.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
15-hydroxyprostaglandin dehydrogenase [NAD(+)]
CHEMBL1293255
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
15-hydroxyprostaglandin dehydrogenase [NAD(+)] IC50 = 0.6 nM 9.22 Biochemical Assay: A hydroxyprostaglandin dehydrogenase inhibition screening bio... -

Data from ChEMBL 36 via Core Engine