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Compound Detail

CHEMBL1401638

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O=P(Cc1cc(Br)cc(Br)c1OCCO)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1401638
Phase Preclinical
Structure Type MOL
InChI Key MPFRNZFZPCYDHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.2
MW (Da)
5.10
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.45
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Br2O3P
MW 510.16
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
 IC50 5.0 5.0 9960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanin-concentrating hormone receptor 1 IC50 = 9960.0 nM 5.0 PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for antagonists of the G-prot... -

Data from ChEMBL 36 via Core Engine