MetaADEDB 2.0 @ LMMD
BIRB 796
(MVCOAUNKQVWQHZ-UHFFFAOYSA-N)
Structure
SMILES
O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1
Type(s)
Experimental; Investigational
Molecular Formula:
C31H37N5O3
Molecular Weight:
527.657
Log P:
6.0703
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
2
TPSA:
80.65
CAS Number(s):
285983-48-4
Synonym(s)
1.
BIRB 796
2.
1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl)urea
3.
BIRB796
4.
doramapimod
External Link(s)
MeSHC452139
PubChem Compound156422
BindingDB13533
ChEBI40953
CHEMBLCHEMBL103667
DrugBankDB03044
IUPHAR/BPS Guide to PHARMACOLOGY5668
KEGGdr:D03736
Therapeutic Target DatabaseD0T3ME
ZINC24044436
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Chemical and Drug Induced Liver Injury21328587CTD
2Crohn Disease21328587CTD
3Neoplasm Invasiveness24951586CTD
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