Statin HMG-CoA reductase inhibitor series

Statin / HMG-CoANot analyzed

Dihydroxyheptanoate statin pharmacophores — atorvastatin, rosuvastatin, simvastatin and pravastatin for LDL-C lowering.

Mechanism · Statin / HMG-CoA BioMoa · Statin / HMG-CoA BioMoa bridge · shared ID

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Data sources: Catalog seed · PubChem · ChEMBL · ClinicalTrials.gov · FDA/EMA
Last updated: Not recorded
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 4
Exploratory nodes: 1
Abstract scaffolds: 1
Relationship types: Derived (curated) · Fingerprint similarity · Drug-class link

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Spider Web · Flow · Structure table · Compare · SMILES map

Name, 2D structure, SMILES, role, parent, core similarity, and traits. Click a row for details.

Compound	Role	SMILES	Parent	Core sim.	Traits
Dihydroxyheptanoate pharmacophoreAbstract pharmacophorestatin-hmg-corePage	Scaffold	`CC(C)(C)C(O)CC(O)CC(=O)O`	—	—	statin · core · HMG-CoA · Shared pharmacophore / core scaffold. Anchor for the Statin HMG-CoA reductase inhibitor se…
Atorvastatin (Lipitor)Verified drugatorvastatinPage	Drug	`CC(C)C1=C(C(=C(N1CC[C@@H](C[C@@H](C[C@@H](…`	Dihydroxyheptanoate pharmacophore	—	statin · FDA · approved · LDL-C · Approved therapeutic. Atorvastatin (Lipitor) in this family map. · CHEMBL1487 · CID 60823
Pravastatin (Pravachol)Verified drugpravastatinPage	Drug	`CC(C)C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@H]1[…`	Dihydroxyheptanoate pharmacophore	—	statin · FDA · approved · LDL-C · hydrophilic · Approved therapeutic. Pravastatin (Pravachol) in this family map.
Rosuvastatin (Crestor)Verified drugrosuvastatinPage	Drug	`CC(C)C1=NC(=NC(=C1C2=CC=C(C=C2)F)C(=O)N[C@…`	Dihydroxyheptanoate pharmacophore	—	statin · FDA · approved · LDL-C · potent · Approved therapeutic. Rosuvastatin (Crestor) in this family map. · CID 446157
Simvastatin (Zocor)Verified drugsimvastatinPage	Drug	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@…`	Dihydroxyheptanoate pharmacophore	—	statin · FDA · approved · LDL-C · lactone prodrug · Approved therapeutic. Simvastatin (Zocor) in this family map.
Fluoro-phenyl statin analogExploratory analog (rule-generated)statin-fluoro-phenyl-analogPage	Derivative	`CC(C)(C)C(O)CC(O)CC(=O)OC1=CC=C(C=C1)F`	Dihydroxyheptanoate pharmacophore	—	SAR · F-scan · SAR exploration node. Derived analog of parent node in Statin HMG-CoA reductase inhibitor …

Name	Role	Derived from	Sim. to core	Relations	Tags
Atorvastatin (Lipitor)Verified drug	Drug	Dihydroxyheptanoate pharmacophore	—	derived_from: Dihydroxyheptanoate pharmacophore · similar_to: Rosuvastatin (Crestor) · similar_to: Simvastatin (Zocor) · related_drug: Rosuvastatin (Crestor)	statin, FDA, approved, LDL-C
Dihydroxyheptanoate pharmacophoreAbstract pharmacophore	Scaffold	—	—	derived_from: Atorvastatin (Lipitor) · derived_from: Rosuvastatin (Crestor) · derived_from: Simvastatin (Zocor) · derived_from: Pravastatin (Pravachol) · derived_from: Fluoro-phenyl statin analog	statin, core, HMG-CoA
Fluoro-phenyl statin analogExploratory analog (rule-generated)	Derivative	Dihydroxyheptanoate pharmacophore	—	derived_from: Dihydroxyheptanoate pharmacophore	SAR, F-scan
Pravastatin (Pravachol)Verified drug	Drug	Dihydroxyheptanoate pharmacophore	—	derived_from: Dihydroxyheptanoate pharmacophore · similar_to: Simvastatin (Zocor) · related_drug: Simvastatin (Zocor)	statin, FDA, approved, LDL-C, hydrophilic
Rosuvastatin (Crestor)Verified drug	Drug	Dihydroxyheptanoate pharmacophore	—	derived_from: Dihydroxyheptanoate pharmacophore · similar_to: Atorvastatin (Lipitor) · related_drug: Atorvastatin (Lipitor)	statin, FDA, approved, LDL-C, potent
Simvastatin (Zocor)Verified drug	Drug	Dihydroxyheptanoate pharmacophore	—	derived_from: Dihydroxyheptanoate pharmacophore · similar_to: Pravastatin (Pravachol) · similar_to: Atorvastatin (Lipitor) · related_drug: Pravastatin (Pravachol)	statin, FDA, approved, LDL-C, lactone prodrug

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Clinical · regulatory context

Statin — HMG-CoA 환원효소

LDL-C 1차 요법. 고효능(atorva/rosuva) vs 수용성(prava) 케모타입 구분.

Approved/clinical labels here come from the catalog clinical overlay. Agency names are shown when curated; live FDA/EMA APIs are not called.

AtorvastatinApprovedFDA/EMA
Hyperlipidemia / ASCVD prevention
ClinicalTrials.gov
RosuvastatinApprovedFDA/EMA
Hyperlipidemia / high-intensity statin
ClinicalTrials.gov

Program and pipeline notes live on BioMoa · statin · StructureMoa ↔ BioMoa bridge