Details of the Drug
General Information of Drug (ID: DME13RQ)
Drug Name |
hK2p01 derivative KLK2 inhibitor
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Synonyms |
CHEMBL2171880; hK2p01 derivative KLK2 inhibitor; GTPL8672; BDBM50396163; 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]acetic acid
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Indication |
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Drug Type |
Small molecular drug
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Structure | |||||||||||||||||||||||
3D MOL is unavailable | 2D MOL | ||||||||||||||||||||||
#Ro5 Violations (Lipinski): 4 | Molecular Weight (mw) | 1191.4 | |||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | -1.1 | ||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 34 | ||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 16 | ||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 14 | ||||||||||||||||||||||
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) | ||||||||||||||||||||||||