General
Preferred name
HYPOTHEMYCIN
Synonyms
P&D ID
PD004903
CAS
76958-67-3
Tags
available
drug candidate
Drug Status
experimental
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 Hypothemycin, a fungal polyketide, is a multikinase inhibitor with Kis of 10/70 nM, 17/38 nM, 90 nM, 900 nM/1.5 ¦ÌM, and 8.4/2.4 ¦ÌM for VEGFR2/VEGFR1, MEK1/MEK2, FLT-3, PDGFR¦Â/PDGFR¦Á, and ERK1/ERK2, respectively[1][2].
Cell lines
11
Organisms
3
Compound Sets
2
DrugBank
DB07905
MedChem Express Bioactive Compound Library
HY-107417
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
378.13
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
1
cLogP
1.03
TPSA
125.82
Fraction CSP3
0.47
Chiral centers
5.0
Largest ring
14.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ERK
FLT3
MEK
PDGFR
VEGFR
Pathway
MAPK/ERK Pathway
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Source data