Details of the Drug

General Information of Drug (ID: DMSHIQA)

Drug Name

CID755673

Synonyms

CID755673; 521937-07-5; CID 755673; cid-755673; MLS000043346; 7-Hydroxy-2,3,4,5-tetrahydro-1H-benzofuro[2,3-c]azepin-1-one; 7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c]azepin-1-one; SMR000019965; 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one; 2,3,4,5-Tetrahydro-7-hydroxy-1H-benzofuro[2,3-c]azepin-1-one; 3-Hydroxy-5,6,7,8-tetrahydro-10-oxa-8-aza-benzo[a]azulen-9-one; AC1LFLHI; SCHEMBL9904268; cid_755673; REGID_for_CID_755673; CHEMBL1450770; BDBM32334; CTK4J5567; CHEBI:92059; KS-00001CWT; EX-A393

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

217.22

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C12H11NO3
IUPAC Name: 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
Canonical SMILES: C1CC2=C(C(=O)NC1)OC3=C2C=C(C=C3)O
InChI: InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
InChIKey: AACFPJSJOWQNBN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 755673
ChEBI ID: CHEBI:92059
CAS Number: 521937-07-5
TTD ID: D0MC3K

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase D (PRKD1)	TTSLUMT	KPCD1_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Copper-transporting ATPase 2 (ATP7B)	OTPWLNCO	ATP7B_HUMAN	Post-Translational Modifications	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Protein kinase D as a potential new target for cancer therapy. Biochim Biophys Acta. 2010 Dec;1806(2):183-92.
2	Involvement of protein kinase D in expression and trafficking of ATP7B (copper ATPase). J Biol Chem. 2011 Mar 4;286(9):7389-96. doi: 10.1074/jbc.M110.171454. Epub 2010 Dec 27.