General
Preferred name
E-6201
Synonyms
E6201 ()
ER-806201 ()
P&D ID
PD048613
CAS
603987-35-5
Tags
drug candidate
Drug indication
Psoriasis vulgaris
Neoplasm
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION The discovery of E6201 is described in . It is a fully synthetic analogue of the naturally occurring fungal resorcylic lactone LL-Z1640-2 (PubChem CID 9863776). (GtoPdb)
DESCRIPTION E6201 is a synthetic, fungal metabolite analogue inhibitor of mitogen-activated protein kinase kinase 1 (MEK-1) and mitogen-activated protein kinase kinase kinase 1 (MEKK-1) with potential antipsoriatic and antineoplastic activities. MEK-1/MEKK-1 inhibitor E6201 specifically binds to and inhibits the activities of MEK-1 and MEKK-1, which may result in the inhibition of tumor cell proliferation. MEK-1 and MEKK-1 are key components in the RAS/RAF/MEK/MAPK signaling pathway, which regulates cell proliferation and is frequently activated in human cancers. (BOC Sciences Bioactive Compounds)
Cell lines
12
Organisms
0
Compound Sets
5
BOC Sciences Bioactive Compounds
e6201-cas-603987-35-5-item-84-462500
ChEMBL Drugs
CHEMBL1097999
DrugBank
DB11687
DrugMAP
DMOSL9P
Guide to Pharmacology
7836
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
389.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
1
cLogP
2.27
TPSA
116.09
Fraction CSP3
0.43
Chiral centers
4.0
Largest ring
14.0
QED
0.57
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data