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Compound Detail

CHEMBL1707053

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Cl.O=S(=O)(c1cccc2cnccc12)N1CCNCC1

Basic Information

ChEMBL ID CHEMBL1707053
Phase Preclinical
Structure Type MOL
InChI Key MBZNIYPWRIDBOD-UHFFFAOYSA-N
Parent Compound CHEMBL75773
Active Moiety CHEMBL75773
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
0.83
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.88
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 C13H16ClN3O2S
MW 313.81
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.57

Activity Summary

EC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.54 5.54 2890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 2890.0 nM 5.54 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... -

Data from ChEMBL 36 via Core Engine