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Compound Detail

CHEMBL4751304

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C[C@H](NC(=O)Cn1nc2cc(C#N)ccn2c1=O)c1ccc(Cl)c(F)c1

Basic Information

ChEMBL ID CHEMBL4751304
Phase Preclinical
Structure Type MOL
InChI Key VHIOAISORKWJGR-JTQLQIEISA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.8
MW (Da)
2.04
ALogP
6
HBA
1
HBD
92.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClFN5O2
MW 373.77
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.57

Activity Summary

EC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 139
CHEMBL3632455
EC50 9.0 9.0 1.0 2
Probable G-protein coupled receptor 139
CHEMBL4888453
EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine