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Compound Detail

CHEMBL1891068

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Cc1ccccc1CN1Cc2cnnn2-c2ccccc2C1C#N

Basic Information

ChEMBL ID CHEMBL1891068
Phase Preclinical
Structure Type MOL
InChI Key DCLTWJBVRRJKNJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.16
ALogP
5
HBA
0
HBD
57.7
PSA (Ų)
0.73
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 C19H17N5
MW 315.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
IC50 5.14 5.14 7251.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 4 IC50 = 7251.0 nM 5.14 PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... -

Data from ChEMBL 36 via Core Engine