Carbetapentane

Summary

Carbetapentane (CHEMBL73234) is an approved small molecule (ATC R05DB05); indicated across 1 condition.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: R05DB05
• Indications: 1 condition
• Chemistry: 333.5 Da · C20H31NO3

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL73234
Name	Carbetapentane
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	2562
ATC	R05DB05
Molecular formula	C20H31NO3
Molecular weight	333.5
InChIKey	CFJMRBQWBDQYMK-UHFFFAOYSA-N

SMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2

IUPAC name: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate

Also known as: Pentoxiverina, Pentoxyverine, Sedotussin, carbetapentane, SID11113506, SID26751724, SID90340636, SID50104415, SID50104416, SID144204460, SID170465562, CARBETAPENTANE

Parent form; salt/anhydrous children: CHEMBL1256696

Patent coverage: 2,151 distinct patent families (7,316 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Broader ChEMBL bioactivity targets: 21 (assay-derived). Sample: Tyrosyl-DNA phosphodiesterase 1, Lysine-specific demethylase 4E, Prelamin-A/C, Inositol monophosphatase 1, 4’-phosphopantetheinyl transferase ffp, Thyroid hormone receptor beta, Thyrotropin receptor, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M1, Lysosomal Pro-X carboxypeptidase.

Bioactivity

ChEMBL activities: 23 potent at pChembl ≥ 5 of 32 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
TDP1	9	Potency	1	nM	CHEMBL_ACT_3933718
Q9R0C9	7.96	Ki	11	nM	CHEMBL_ACT_985200
Q9R0C9	7.96	Ki	11	nM	CHEMBL_ACT_985201
SIGMAR1	7.71	Ki	19.5	nM	CHEMBL_ACT_86644
PRCP	7.5	IC50	32	nM	CHEMBL_ACT_226259
Q9R0C9	7.5	Ki	32	nM	CHEMBL_ACT_985202
Q9R0C9	7.39	Ki	41	nM	CHEMBL_ACT_985195
CHRM1	7.12	Ki	76	nM	CHEMBL_ACT_22850849
CHRM1	7.12	Ki	76	nM	CHEMBL_ACT_985198
SIGMAR1	6.89	Ki	129	nM	CHEMBL_ACT_22850775
CHRM2	6.78	Ki	167	nM	CHEMBL_ACT_985199
TSHR	6.5	Potency	316.2	nM	CHEMBL_ACT_3912028
TSHR	6.5	Potency	316.2	nM	CHEMBL_ACT_4714981
SLC22A1	5.81	IC50	1550	nM	CHEMBL_ACT_18040340
TMEM97	5.71	Ki	1953	nM	CHEMBL_ACT_22850780
P23977	5.51	Ki	3090	nM	CHEMBL_ACT_1240207
P23977	5.51	Ki	3090	nM	CHEMBL_ACT_86643
CYP3A4	5.4	Potency	3981	nM	CHEMBL_ACT_4949226
CYP3A4	5.4	Potency	3981	nM	CHEMBL_ACT_5078575
CYP3A4	5.4	AC50	3981	nM	CHEMBL_ACT_6009519
P97697	5.3	Potency	5012	nM	CHEMBL_ACT_4410197
CYP2D6	5	Potency	10000	nM	CHEMBL_ACT_4981964
CYP2D6	5	AC50	10000	nM	CHEMBL_ACT_6037394

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

1 indication (0 at ChEMBL trial phase 4).

The 1 indication record carries no mapped disease name (EFO/MeSH-only); none shown.

Clinical trials

Total trials: 0.

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).