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Compound Detail

CHEMBL1480330

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N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1C2c1ccccc1

Basic Information

ChEMBL ID CHEMBL1480330
Phase Preclinical
Structure Type MOL
InChI Key NOGQPWSXNVFQFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
4.00
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3O3
MW 371.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 5.92 5.92 1203.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 55 IC50 = 1203.1 nM 5.92 PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... -

Data from ChEMBL 36 via Core Engine