# ChEMBL Scraper: Drug-Like Molecules & Properties (`naimurhasanrwd/chembl-molecules-scraper`) Actor

Search drug-like molecules and their properties via the EBI ChEMBL API: molecular weight, logP, development phase and approval year. No login, no proxy, no browser.

- **URL**: https://apify.com/naimurhasanrwd/chembl-molecules-scraper.md
- **Developed by:** [Naimur Hasan](https://apify.com/naimurhasanrwd) (community)
- **Stats:** 2 total users, 1 monthly users, 94.4% runs succeeded, 0 bookmarks
- **User rating**: No ratings yet

## Pricing

Pay per usage

This Actor is paid per platform usage. The Actor is free to use, and you only pay for the Apify platform usage, which gets cheaper the higher subscription plan you have.

Learn more: https://docs.apify.com/actors/running/actors-in-store.md#pay-per-usage

## What's an Apify Actor?

An Actor is a serverless cloud program that runs on the Apify platform. It has two run modes.
In Batch mode, an Actor accepts a well-defined JSON input, performs an action which can take anything from a few seconds to a few hours,
and optionally produces a well-defined JSON output, datasets with results, or files in key-value store.
In Standby mode, an Actor provides a web server which can be used as a website, API, or an MCP server.

Apify vocabulary and the platform model are defined once, in the agent quickstart at https://apify.com/agents.md.

## How to integrate an Actor?

If asked about integration, you help developers integrate Actors into their projects.
You adapt to their stack and deliver integrations that are safe, well-documented, and production-ready.

Do not guess an integration path. Every one of them is in the agent quickstart at https://apify.com/agents.md: the Apify MCP server, Agent Skills with the Apify CLI, the JavaScript and Python clients, the REST API, and the account-free path for an agent with no human to sign in. It also carries the rule on stating cost before the first paid run.

For examples already wired to this Actor's own input schema, see the [API](#api) section below.

Each client library has reference documentation the quickstart does not restate: [JavaScript/TypeScript](https://docs.apify.com/api/client/js/docs.md) (`npm install apify-client`) and [Python](https://docs.apify.com/api/client/python/docs.md) (`pip install apify-client`).

# README

## ChEMBL Scraper

Searches drug-like molecules and their computed properties through the EBI
ChEMBL API. No login, no proxy, no browser.

### Input

| Field | Type | Notes |
|---|---|---|
| `nameContains` | string | Filter on preferred name, e.g. `statin`. Default `statin`. |
| `approvedOnly` | boolean | Only molecules that reached approval (max phase 4). Default `false`. |
| `maxItems` | integer | Cap on molecules. Default `50`. |

### Output

One row per molecule: `chemblId`, `prefName`, `moleculeType`, `maxPhase`,
`phaseLabel`, `firstApproval`, `molecularWeight`, `alogp`, `hbd`, `hba`,
`psa`, `rotatableBonds`, `smiles`, `chemblUrl`.

### Notes

- **Every numeric property is a string upstream** (`"341.75"`), so all are
  converted — otherwise molecular weight sorts alphabetically.
- **`max_phase` null is not the same as phase 0.** Null means no recorded
  development stage; 0 means explicitly preclinical. `phaseLabel` keeps them
  distinct rather than collapsing both to "Preclinical".
- Most ChEMBL molecules have **no `pref_name`** — the database is dominated by
  research compounds identified only by ChEMBL ID. A null name is normal, not
  a mapping failure.
- `alogp`, `hbd`, `hba` and `psa` are the Lipinski-style descriptors used to
  judge drug-likeness.

# Actor input Schema

## `nameContains` (type: `string`):

Filter by preferred molecule name, e.g. statin, mab. Leave unset to list approved drugs.

## `approvedOnly` (type: `boolean`):

Restrict to molecules that reached approval (max phase 4)

## `maxItems` (type: `integer`):

Cap on molecules returned

## Actor input object example

```json
{
  "nameContains": "statin",
  "approvedOnly": false,
  "maxItems": 50
}
```

# Actor output Schema

## `items` (type: `string`):

Every molecule the run matched.

# API

You can run this Actor programmatically using our API. Below are code examples in JavaScript, Python, and CLI, as well as the OpenAPI specification and MCP server setup.

## JavaScript example

```javascript
import { ApifyClient } from 'apify-client';

// Initialize the ApifyClient with your Apify API token
// Replace the '<YOUR_API_TOKEN>' with your token
const client = new ApifyClient({
    token: '<YOUR_API_TOKEN>',
});

// Prepare Actor input
const input = {
    "nameContains": "statin"
};

// Run the Actor and wait for it to finish
const run = await client.actor("naimurhasanrwd/chembl-molecules-scraper").call(input);

// Fetch and print Actor results from the run's dataset (if any)
console.log('Results from dataset');
console.log(`💾 Check your data here: https://console.apify.com/storage/datasets/${run.defaultDatasetId}`);
const { items } = await client.dataset(run.defaultDatasetId).listItems();
items.forEach((item) => {
    console.dir(item);
});

// 📚 Want to learn more 📖? Go to → https://docs.apify.com/api/client/js/docs

```

## Python example

```python
from apify_client import ApifyClient

# Initialize the ApifyClient with your Apify API token
# Replace '<YOUR_API_TOKEN>' with your token.
client = ApifyClient("<YOUR_API_TOKEN>")

# Prepare the Actor input
run_input = { "nameContains": "statin" }

# Run the Actor and wait for it to finish
run = client.actor("naimurhasanrwd/chembl-molecules-scraper").call(run_input=run_input)

# Fetch and print Actor results from the run's dataset (if there are any)
print(f"💾 Check your data here: https://console.apify.com/storage/datasets/{run.default_dataset_id}")
for item in client.dataset(run.default_dataset_id).iterate_items():
    print(item)

# 📚 Want to learn more 📖? Go to → https://docs.apify.com/api/client/python/docs/quick-start

```

## CLI example

```bash
echo '{
  "nameContains": "statin"
}' |
apify call naimurhasanrwd/chembl-molecules-scraper --silent --output-dataset

```

## MCP server setup

```json
{
    "mcpServers": {
        "apify": {
            "type": "http",
            "url": "https://mcp.apify.com/?tools=fetch-actor-details,naimurhasanrwd/chembl-molecules-scraper"
        }
    }
}
```

The hosted server signs you in with OAuth on first connect, so no API token belongs in this config. Clients without OAuth support can send an `Authorization: Bearer <APIFY_API_TOKEN>` header instead, using a token from API & Integrations in Apify Console (https://console.apify.com/settings/integrations).

## OpenAPI specification

Download the OpenAPI definition: https://api.apify.com/v2/actors/ZvwkKsu3zE9qdxeEQ/builds/alZybqdQjaVpvkQhL/openapi.json