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Compound Detail

CHEMBL1487179

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O=C(c1cc(-c2cc(F)c(Cl)cc2Cl)[nH]n1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1487179
Phase Preclinical
Structure Type MOL
InChI Key UYFKEZDNNGLWRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.2
MW (Da)
4.15
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.83
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 C15H14Cl2FN3O
MW 342.20
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 6.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
 IC50 6.49 6.49 322.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alkaline phosphatase, tissue-nonspecific isozyme IC50 = 322.0 nM 6.49 PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... -

Data from ChEMBL 36 via Core Engine