Details of the Drug
General Information of Drug (ID: DMELJDI)
Drug Name |
KAI-9803
|
||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Synonyms |
DELCASERTIB; UNII-5G7N7E908H; 5G7N7E908H; KAI-9803; BMS-875944; Delcasertib [USAN:INN]; 949100-39-4; HY-106262; CS-0025460; L-Arginine, L-cysteinyl-L-tyrosylglycyl-L-arginyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L- glutaminyl-L-arginyl-L-arginyl-, (1->1')-disulfide with L-cysteinyl-L-seryl-L-phenylalanyl-L- asparaginyl-L-seryl-L-tyrosyl-L-alpha-glutamyl-L-leucylglycyl-L-seryl-L-leucine; L-Cysteinyl-L-tyrosylglycyl-L-arginyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L-glutaminyl-L- arginyl-L-arginyl-L-arginine (1->1')-d
|
||||||||||||||||||||||
Indication |
|
||||||||||||||||||||||
Drug Type |
Small molecular drug
|
||||||||||||||||||||||
Structure | |||||||||||||||||||||||
3D MOL | 2D MOL | ||||||||||||||||||||||
#Ro5 Violations (Lipinski): 5 | Molecular Weight (mw) | 2880.3 | |||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | -19.7 | ||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 108 | ||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 53 | ||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 46 | ||||||||||||||||||||||
Chemical Identifiers |
|
||||||||||||||||||||||
Cross-matching ID | |||||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
|
||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Acute myocardial infarction | |||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ICD Disease Classification | BA41 | |||||||||||||||||||||||
|
||||||||||||||||||||||||
Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||
References