Compound Detail
CHEMBL63857
PHENOLPHTHALEIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL63857 |
| Name | PHENOLPHTHALEIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KJFMBFZCATUALV-UHFFFAOYSA-N |
7
Targets
8
Activities
2
Assay Types
1
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
318.3
MW (Da)
3.56
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Laxative | - | - | ✓ | ✓ |
Indications
Constipation
ATC Classification
A06AB04
phenolphthalein
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION
Drug Warnings
Withdrawn
carcinogenicity
May cause cancer
Withdrawn
carcinogenicity
May cause cancer; Potential risk of carcinogenicity
Activity Summary
Ki 5 meas. best 5.92
IC50 3 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate synthase CHEMBL1952 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Thymidylate synthase CHEMBL1795144 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Thymidylate synthase CHEMBL2555 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
| Thymidylate synthase CHEMBL5328 | Ki | 5.33 | 5.245 | 4700.0 | 2 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.18 | 5.18 | 6667.2 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 20.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine