Compound Detail
CHEMBL1425
MERCAPTOPURINE ANHYDROUS 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1425 |
| Name | MERCAPTOPURINE ANHYDROUS |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GLVAUDGFNGKCSF-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
30
Targets
83
Activities
4
Assay Types
9
PK Parameters
20
Publications
1
Known Names
Molecular Properties
152.2
MW (Da)
0.64
ALogP
4
HBA
2
HBD
54.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1953 |
| Availability | Prescription |
| Chirality | Achiral |
Activity Summary
IC50 73 meas. best 8.52
EC50 5 meas. best 5.36
Ki 4 meas. best 4.8
Kd 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.A1 CHEMBL614040 | IC50 | 8.52 | 8.52 | 3.0 | 3 |
| J774 CHEMBL614123 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 8.15 | 8.15 | 7.0 | 4 |
| WEHI-164 CHEMBL614227 | IC50 | 7.82 | 7.8075 | 15.0 | 4 |
| L1210 CHEMBL386 | IC50 | 7.7 | 7.66 | 20.0 | 2 |
| MT4 CHEMBL388 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.83 | 6.83 | 149.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.59 | 6.031 | 259.1 | 10 |
| CCRF-CEM CHEMBL382 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| CCRF-SB CHEMBL614542 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.89 | 5.795 | 1300.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.85 | 5.5857 | 1400.0 | 7 |
| DU-145 CHEMBL613508 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.61 | 5.285 | 2450.0 | 8 |
| HeLa CHEMBL399 | IC50 | 5.54 | 5.48 | 2900.0 | 5 |
| REH CHEMBL2366320 | IC50 | 5.53 | 5.53 | 2940.0 | 1 |
| WIL2-NS CHEMBL612810 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| DAN-G CHEMBL614033 | IC50 | 5.39 | 5.39 | 4060.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.36 | 5.36 | 4326.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.27 | 5.03 | 5346.0 | 3 |
| HepG2 CHEMBL395 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| S49 CHEMBL614891 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Tyrosinase CHEMBL3318 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.79 | 4.79 | 16242.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.33 | 4.322 | 47000.0 | 5 |
| MOLT-4 CHEMBL614177 | IC50 | 4.3 | 4.3 | 50500.0 | 1 |
| SK-MES-1 CHEMBL614923 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.17 | 4.17 | 67500.0 | 3 |
| Purine nucleoside phosphorylase CHEMBL1169594 | Kd | 4.1 | 4.1 | 79432.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 131.42 | nM | Homo sapiens |
| F | 20.0 | % | Homo sapiens |
| F | 60.0 | % | Homo sapiens |
| Fu | 0.85 | - | Homo sapiens |
| MRT | 1.11 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| Tmax | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine