Antibiotics Data

Information about antibiotics, inlcuding their chemical and physical properties, pharmacology, and mechanism of action.

Attributes

• _version_ (number)
• antibiotic_name (case insensitive string) - Human-readable label chosen by curators; queryable without case sensitivity, so “cipro” and “Ciprofloxacin” match. Displayed in lists and reports. “Amoxicillin”
• atc_classification (array of strings) - One or more Anatomical Therapeutic Chemical codes describing therapeutic class and subgroup; stored as an array because a combination drug may map to several codes. ["J01CA04"]
• canonical_smiles (string) - Deterministic SMILES string from PubChem. Enables exact structure search, fingerprint generation and 2-D depictions. “CC1(C(=O)N2C(S1)C …)”
• cas_id (string) - Globally unique identifier from Chemical Abstracts Service; useful in regulatory forms and cross-database joins. “26787-78-0”
• date_inserted (date) - ISO-8601 UTC datetime stamped when the record entered BV-BRC; useful for change-logs and incremental downloads. “2023-04-11T15:22:04Z”
• date_modified (date) - Updates whenever any field changes; clients compare this to cached copies to know when to refresh. “2025-05-18T09:47:55Z”
• description (array of strings) - One-to-three sentence plain-language summary of spectrum, indications or notable traits. Stored as an array so sentence boundaries are preserved. [ "A broad-spectrum semisynthetic penicillin active against many Gram-positive and some Gram-negative organisms." ]
• drugbank_interactions (array of strings) - DrugBank IDs or names with clinically relevant interactions (synergy, antagonism, adverse). Displayed in AMR reports and pharmacology dashboards. [ "Warfarin", "Methotrexate" ]
• inchi_key (string) - Fixed-length hash of the full InChI; ideal for rapid deduplication and web look-ups. “LSQZJLSUYDQPKJ-UHFFFAOYSA-N”
• isomeric_smiles (string) - SMILES that includes chiral and isotopic information; required for 3-D conformer generation or docking. “CC1(C(=O)N2[C@@H]… )”
• mechanism_of_action (array of strings) - Curated phrases describing biochemical target(s) and effect (e.g. “Inhibits cell-wall transpeptidase”). Multiple entries allowed for multi-target drugs. [ "Blocks peptidoglycan cross-linking in bacterial cell walls." ]
• molecular_formula (string) - Elemental composition in standard order (C, H, then alphabetical). Used by cheminformatics tools for mass and isotope calculations. “C16H19N3O5S”
• molecular_weight (string) - Calculated from the formula. Stored as a string to avoid floating-point drift across languages; clients parse to float if needed. “365.40”
• pharmacological_classes (array of strings) - Controlled-vocabulary terms (often DrugBank “pharmacological class”) that power faceted search and ontology-driven UIs. [ "Beta-lactam antibiotic", "Penicillin derivative" ]
• pharmacology (array of strings) - Paragraph-level bullets on absorption, distribution, metabolism, excretion and toxicity. Array keeps each bullet atomic for display. [ "Orally bioavailable; ~95 % systemic.", "Renally excreted; dose adjust if CrCl < 30 mL/min." ]
• pubchem_cid * (string) - Master external anchor for chemistry; every other cross-reference (SMILES, synonyms) resolves through this ID. (Denotes table primary key.) “33613”
• pubchem_cid_i (integer) - Mirrors pubchem_cid as an integer for fast range/sort queries in Solr (strings sort lexically, not numerically). 33613
• synonyms (array of case insensitive strings) - Brand names, old systematic names, abbreviations— boosts search recall and supports name harmonization. Case-insensitive matching mirrors antibiotic_name. [ "Amoxil", "Trimox", "α-amino-p-hydroxybenzyl penicillin" ]

API

https://www.bv-brc.org/api/antibiotics/1046