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Compound Detail

CHEMBL24813

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CC(C)(C)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL24813
Phase Preclinical
Structure Type MOL
InChI Key KDFLJSUYAYTTKJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.1
MW (Da)
7.61
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40ClNO
MW 490.13
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.75

Activity Summary

Kd 2 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated L-type calcium channel
CHEMBL2095177
Kd 7.03 6.985 93.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80231-0 Voltage-gated L-type calcium channel 2

Data from ChEMBL 36 via Core Engine