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Compound Detail

CHEMBL3646124

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O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCSCC2)ncn1

Basic Information

ChEMBL ID CHEMBL3646124
Phase Preclinical
Structure Type MOL
InChI Key RNUYQJMMQZQPJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
0.09
ALogP
9
HBA
1
HBD
97.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N8OS
MW 330.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN2
CHEMBL3028
IC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN2 IC50 = 740.0 nM 6.13 Inhibition Assay: Hydroxylated HIF bonds specifically to the von Hippel-Lindau p... -

Data from ChEMBL 36 via Core Engine