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Compound Detail

CHEMBL1472465

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COc1cc([N+](=O)[O-])ccc1NC(=O)Nn1cnnc1

Basic Information

ChEMBL ID CHEMBL1472465
Phase Preclinical
Structure Type MOL
InChI Key IYTJKLNXJPYZDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.2
MW (Da)
0.97
ALogP
7
HBA
2
HBD
124.2
PSA (Ų)
0.63
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 C10H10N6O4
MW 278.23
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aspartyl aminopeptidase
CHEMBL1293263
IC50 6.45 6.45 352.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aspartyl aminopeptidase IC50 = 352.84 nM 6.45 PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay fo... -

Data from ChEMBL 36 via Core Engine