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Compound Detail

CHEMBL5420624

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O=C(Nc1ccc(Oc2ccccc2)nc1)N1C2CCC1c1ccnc(F)c1C2

Basic Information

ChEMBL ID CHEMBL5420624
Phase Preclinical
Structure Type MOL
InChI Key AWEUGLSKVVNNSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
4.70
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19FN4O2
MW 390.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Psychosine receptor
CHEMBL3714081
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Psychosine receptor IC50 = 500.0 nM 6.3 Antagonist activity at recombinant human GPR65 expressed in human 1321N1 cells a... -

Data from ChEMBL 36 via Core Engine