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Compound Detail

CHEMBL1502820

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Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1502820
Phase Preclinical
Structure Type MOL
InChI Key STMHNEOUYCKQID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.9
MW (Da)
4.16
ALogP
6
HBA
2
HBD
71.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN6S
MW 380.86
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.31

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SUMO E1/E2
CHEMBL3137290
 IC50 4.9 4.9 12500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SUMO E1/E2 IC50 = 12500.0 nM 4.9 PUBCHEM_BIOASSAY: SAR analysis of SUMOylation using HTRF in an in-Vitro dose res... -

Data from ChEMBL 36 via Core Engine