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Compound Detail

CHEMBL2385588

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Clc1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)ccn1

Basic Information

ChEMBL ID CHEMBL2385588
Phase Preclinical
Structure Type MOL
InChI Key HYXWNQUIORDRPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
3.52
ALogP
6
HBA
1
HBD
58.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN6
MW 390.88
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bone morphogenetic protein 4
CHEMBL2384894
IC50 6.61 6.61 246.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23639540 10.1016/j.bmcl.2013.03.113 Bone morphogenetic protein 4 1

Data from ChEMBL 36 via Core Engine