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Compound Detail

CHEMBL1407509

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Cc1cccc2cc3c(N)c(C(=O)N4CCOCC4)sc3nc12

Basic Information

ChEMBL ID CHEMBL1407509
Phase Preclinical
Structure Type MOL
InChI Key KIOQMKSRJBIIET-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.81
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O2S
MW 327.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.03

Activity Summary

EC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 1 group I member 2
CHEMBL3401
EC50 4.16 4.16 69508.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine