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Compound Detail

CHEMBL1722092

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Fc1ccc(Nc2nnc(-c3ccncc3)s2)cc1Cl

Basic Information

ChEMBL ID CHEMBL1722092
Phase Preclinical
Structure Type MOL
InChI Key AMDJEUDVWWVCPN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.8
MW (Da)
4.14
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.79
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 C13H8ClFN4S
MW 306.75
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.71

Activity Summary

EC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.92 4.92 12010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 12010.0 nM 4.92 PUBCHEM_BIOASSAY: Luminescence Cell Based Dose Confirmation HTS to Identify Acti... -

Data from ChEMBL 36 via Core Engine