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Compound Detail

CHEMBL3645384

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CC(C)N(Cc1cnc[nH]1)c1ccc(OC(F)(F)F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3645384
Phase Preclinical
Structure Type MOL
InChI Key LHNXKOOJEQWVFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.7
MW (Da)
4.38
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.88
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 C14H15ClF3N3O
MW 333.74
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.37

Activity Summary

Ki 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trace amine-associated receptor 1
CHEMBL4908
 Ki 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trace amine-associated receptor 1 Ki = 2.8 nM 8.55 Binding Assay: Radioligand binding assay: The radioligand [3H]-rac-2-(1,2,3,4-te... -

Data from ChEMBL 36 via Core Engine