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Compound Detail

CHEMBL1584768

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CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1584768
Phase Preclinical
Structure Type MOL
InChI Key WJMIMXYRGJRXJX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
4.58
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23Cl2N3O2
MW 408.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.77

Activity Summary

EC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vasopressin V1a receptor
CHEMBL1889
 EC50 5.21 5.21 6229.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vasopressin V1a receptor EC50 = 6229.0 nM 5.21 PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response sc... -

Data from ChEMBL 36 via Core Engine