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Compound Detail

CHEMBL5896863

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O=C(O)CCCCCC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5896863
Phase Preclinical
Structure Type MOL
InChI Key XOQZGQKWGADCAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
4.11
ALogP
9
HBA
3
HBD
147.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N6O4S2
MW 516.65
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminase kidney isoform, mitochondrial
CHEMBL2146302
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutaminase kidney isoform, mitochondrial IC50 = 100.0 nM 7.0 High Throughput Screening (HTS) Assa: A high throughput screening (HTS) assay an... -

Data from ChEMBL 36 via Core Engine