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Compound Detail

CHEMBL342008

NORTADALAFIL
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O=C1NCC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@H]12

Basic Information

ChEMBL ID CHEMBL342008
Name NORTADALAFIL
Phase Preclinical
Structure Type MOL
InChI Key XHDLVMPUSXRZOS-FOIQADDNSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
1.87
ALogP
4
HBA
2
HBD
83.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O4
MW 375.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.08

Activity Summary

EC50 2 meas. best 6.52
IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL3478
IC50 7.96 7.94 11.0 2
Rattus norvegicus
CHEMBL376
EC50 6.52 6.37 300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14521415 10.1021/jm0300577 cGMP-specific 3',5'-cyclic phosphodiesterase 2
14521415 10.1021/jm0300577 Rattus norvegicus 2
21504142 10.1021/jm1014617 Plasmodium falciparum 1
21504142 10.1021/jm1014617 MRC5 1

Data from ChEMBL 36 via Core Engine