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Compound Detail

CHEMBL3932667

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c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1

Basic Information

ChEMBL ID CHEMBL3932667
Phase Preclinical
Structure Type MOL
InChI Key XPMCTUQSINXPSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
3.70
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4
MW 290.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-X-C chemokine receptor type 4
CHEMBL5556
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine