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Compound Detail

CHEMBL5774160

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CC(C)(C)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5774160
Phase Preclinical
Structure Type MOL
InChI Key VUCDHQVJCARHPS-OSYLJGHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.6
MW (Da)
3.09
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H39N3O2
MW 365.56
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent T-type calcium channel subunit alpha-1H
CHEMBL1859
 IC50 7.19 7.19 64.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-dependent T-type calcium channel subunit alpha-1H IC50 = 64.0 nM 7.19 Activity Assay: The HEK293 cells having human Cav3.2 stably expressed therein we... -

Data from ChEMBL 36 via Core Engine