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Compound Detail

CHEMBL1534915

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CN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)NC1=S

Basic Information

ChEMBL ID CHEMBL1534915
Phase Preclinical
Structure Type MOL
InChI Key RJRRUVWMLXWMJO-LUAWRHEFSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
1.53
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3O3S
MW 319.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.35

Activity Summary

EC50 1 meas.
IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
IC50 5.0 5.0 10100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine