Details of the Drug
General Information of Drug (ID: DM6HPYN)
Drug Name |
3-(2-carboxy-4-mercaptobutyl)benzoic acid
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Synonyms | Thiol-Based Inhibitor, 7b; CHEMBL206078; BDBM17765; Benzenepropanoic acid, 3-carboxy-alpha-(2-mercaptoethyl)-; 378241-99-7; 3-[2-carboxy-2-(2-sulfanylethyl)ethyl]benzoic acid | ||||||||||||||||||||||
Indication |
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Drug Type |
Small molecular drug
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Structure | |||||||||||||||||||||||
3D MOL | 2D MOL | ||||||||||||||||||||||
#Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 254.3 | |||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | 1.9 | ||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 6 | ||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 3 | ||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 5 | ||||||||||||||||||||||
Chemical Identifiers |
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Cross-matching ID | |||||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Discovery agent | |||||||||||||||||||||||
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ICD Disease Classification | N.A. | |||||||||||||||||||||||
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Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||