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Compound Detail

CHEMBL245621

HALOPEMIDE
🧪 Phase II
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🧪 Phase II
O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245621
Name HALOPEMIDE
Phase Phase II
Structure Type MOL
InChI Key NBHPRWLFLUBAIE-UHFFFAOYSA-N

Known Names

Halopemida Halopemide NSC-354856 R 34,301 R-34301
4
Targets
13
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

416.9
MW (Da)
3.19
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1977

Extended Properties

Molecular Formula C21H22ClFN4O2
MW 416.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.94

Activity Summary

IC50 13 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 IC50 8.15 8.15 7.0 1
Phospholipase D1
CHEMBL3308939
 IC50 7.96 7.96 11.0 1
Phospholipase D1
CHEMBL2536
 IC50 7.68 7.272 21.0 5
Phospholipase D2
CHEMBL2734
 IC50 6.52 6.1783 300.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor IC50 = 7.0 nM 8.15 Inhibition of dopamine receptor D2 (unknown origin) 23445448
Phospholipase D1 IC50 = 11.0 nM 7.96 Inhibition of N-terminally truncated rat PLD1 assessed as release of methyl-[3H]... 19136975
Phospholipase D1 IC50 = 21.0 nM 7.68 Inhibition of human PLD1 in Calu1 cells 19268584
Phospholipase D1 IC50 = 21.0 nM 7.68 Inhibition of PLD1 in human Calu-1 cells assessed as decrease in phosphatidylbut... 19136975
Phospholipase D1 IC50 = 21.0 nM 7.68 Inhibition of PLD1 (unknown origin) 30528979
Phospholipase D1 IC50 = 220.0 nM 6.66 Inhibition of human PLD1 assessed as release of methyl-[3H]choline from choline-... 19136975
Phospholipase D1 IC50 = 220.0 nM 6.66 Inhibition of PLD1 (unknown origin) 23445448
Phospholipase D2 IC50 = 300.0 nM 6.52 Inhibition of GFP-labelled human PLD2 HEK293 cells 19268584
Phospholipase D2 IC50 = 300.0 nM 6.52 Inhibition of PLD2 (unknown origin) 30528979
Phospholipase D2 IC50 = 310.0 nM 6.51 Inhibition of human PLD2 assessed as release of methyl-[3H]choline from choline-... 19136975
Phospholipase D2 IC50 = 310.0 nM 6.51 Inhibition of PLD2 (unknown origin) 23445448
Phospholipase D2 IC50 = 1500.0 nM 5.82 Inhibition of PLD2 17317170
Phospholipase D2 IC50 = 6500.0 nM 5.19 Inhibition of GFP-tagged human PLD2 expressed in human HEK293 cells assessed as ... 19136975

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5724801 HEK-293T 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5724801 Fibroblast 304
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
- 10.6019/CHEMBL5058564 Fibroblast 6
- 10.6019/CHEMBL5058564 HEK-293T 6
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 5
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 5
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 5
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 5
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 5
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 5
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 5
- 10.6019/CHEMBL5209801 Apelin receptor 5
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 5
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 5

Data from ChEMBL 36 via Core Engine