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Compound Detail

CHEMBL148720

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CC1(C)CC(NC(=O)/C=C/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148720
Phase Preclinical
Structure Type MOL
InChI Key FIFZDWIUHFWXLX-KQQUZDAGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
4.47
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27Cl2N3O2
MW 424.37
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosinetriphosphatase
CHEMBL2770
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosinetriphosphatase IC50 = 1500.0 nM 5.82 Compound was tested for in vitro inhibition of osteoclast vacuolar acid pump 10743958

Literature References

PubMed DOI Target Context # Activities
10743958 10.1016/s0960-894x(00)00025-1 Adenosinetriphosphatase 1
10743958 10.1016/s0960-894x(00)00025-1 Unchecked 1

Data from ChEMBL 36 via Core Engine