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Compound Detail

CHEMBL571431

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CNCCN1CCC(c2cnc3[nH]c(-c4cccnc4OC)nc3c2)CC1

Basic Information

ChEMBL ID CHEMBL571431
Phase Preclinical
Structure Type MOL
InChI Key DAMBDOIWCIIKJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.43
ALogP
6
HBA
2
HBD
79.0
PSA (Ų)
0.70
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 C20H26N6O
MW 366.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-arginine methyltransferase CARM1
CHEMBL5406
IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19632837 10.1016/j.bmcl.2009.07.040 Histone-arginine methyltransferase CARM1 1

Data from ChEMBL 36 via Core Engine