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Compound Detail

CHEMBL1618018

HOMATROPINE
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CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL1618018
Name HOMATROPINE
Phase Preclinical
Structure Type MOL
InChI Key ZTVIKZXZYLEVOL-MCOXGKPRSA-N
Therapeutic ✓ Yes

Known Names

Homatropine
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
1
Known Names

Molecular Properties

275.4
MW (Da)
1.89
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -trop-

Extended Properties

Molecular Formula C16H21NO3
MW 275.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.59

ATC Classification

S01FA05
homatropine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Literature References

PubMed DOI Target Context # Activities
19397318 10.1021/jm9003945 No relevant target 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
19781950 10.1016/j.bmc.2009.08.067 Unchecked 1
- 10.6019/CHEMBL3301361 No relevant target 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine