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Compound Detail

CHEMBL5400100

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N#Cc1ccc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)nc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400100
Phase Preclinical
Structure Type MOL
InChI Key DJYMLBZUZGFZHW-GXFFZTMASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
3.80
ALogP
4
HBA
1
HBD
81.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13F4N5O
MW 391.33
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.20

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