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Compound Detail

CHEMBL599014

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O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599014
Phase Preclinical
Structure Type MOL
InChI Key BYYRFINHECQVAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

529.5
MW (Da)
7.45
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30Cl2N2O
MW 529.51
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
20117000 10.1016/j.bmcl.2010.01.008 N-type calcium channel alpha-1b/alpha2delta-1/beta-1b 1
20117000 10.1016/j.bmcl.2010.01.008 Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b 1

Data from ChEMBL 36 via Core Engine