/chembl/molecules/mechanisms

POST /api/chembl/molecules/mechanisms

Price: 1 credit

Get the curated mechanisms of action recorded for one ChEMBL molecule

How to use it

These are hand-curated statements of what a drug does to a target, which exist almost only for compounds that reached the clinic, so a research compound answers with an empty list and so does an unknown id. `action_type` is the direction of the effect and `target_id` is the ChEMBL target it acts on; `is_direct_interaction` distinguishes binding the target itself from acting on its pathway.

Parameters

• access-token string required

Request body

• timeout integer — Max scrapping execution timeout (in seconds) (default: 300; min: 20; max: 1500)
• molecule string required — ChEMBL molecule identifier, or a ChEMBL page URL containing one (examples: "CHEMBL25"; minLength: 1)
• target string nullable — Keep only mechanisms acting on this ChEMBL target (examples: "CHEMBL221"; minLength: 1)
• action_type string nullable — Curated action on the target, such as INHIBITOR, AGONIST or ANTAGONIST (examples: "INHIBITOR"; minLength: 1)
• include_salts_and_mixtures boolean — True also returns mechanisms recorded for salts and mixtures whose parent is this molecule, False keeps only mechanisms recorded for the molecule itself (default: true)
• count integer required — Max number of results (min: 1; max: 1000)

Response

• @type string (default: "ChemblMechanism")
• id string (default: "")
• molecule_id string (default: "")
• parent_molecule_id string (default: "")
• target_id string (default: "")
• mechanism_of_action string (default: "")
• action_type string (default: "")
• max_phase number nullable
• record_id string (default: "")
• site_id string (default: "")
• binding_site_comment string (default: "")
• selectivity_comment string (default: "")
• mechanism_comment string (default: "")
• variant_sequence_accession string (default: "")
• variant_mutation string (default: "")
• is_direct_interaction boolean nullable
• is_disease_efficacy boolean nullable
• is_molecular_mechanism boolean nullable
• references array (default: [])
  • @type string (default: "ChemblReference")
  • type string (default: "")
  • id string (default: "")
  • url string (default: "")

Errors

• 422 — The request body did not validate Check the fields against this schema. A URN with the wrong prefix is the most common cause.
• 408 — The request ran past its time limit Raise `timeout` in the request body, up to the maximum this endpoint documents. Lowering `count` or turning off the `with_*` flags also helps, because less work finishes sooner.
• 412 — The entity was not found, or a precondition failed Retrying will not help: either the entity does not exist, or the input points at a different one.
• 429 — Too many requests: a rate limit or a usage window is exhausted When the response carries an X-Retry-After header, wait that many seconds and retry: the same number is in the body as `detail.retry_after`, and the limit clears once that window passes. The message in the body names the limit that was hit.
• 500 — Something broke on our side Retrying will not help. If it keeps happening, send us the X-Request-ID from the response headers.
• 529 — Rate limit reached, or the endpoint is overloaded Wait at least 30 seconds, then retry.

Response headers

• X-Error — Error message text (present only on error)
• X-Request-ID — Unique request identifier
• X-Execution-Time — Execution time in seconds
• X-Result-Count — How many records the body carries. 0 means an empty result, which is a normal answer and not by itself an error. A non-zero count can come back together with X-Error when the failure happened partway through — read this header and X-Error independently.
• X-Total-Available-Results — How many records exist for this query, when the endpoint can say. On a `dry_run` request this is the answer and the body is empty. It saturates: the endpoint's documented maximum means 'at least that many', any smaller number is exact.
• X-Warning — Present when the request body carried keys this endpoint does not document. They were ignored, so any filter you meant to apply through them did not apply. Check the spelling against this schema and retry.
• X-Retry-After — Seconds to wait before retrying. Present only on 429.