General
Preferred name
PMID19788238C66
Synonyms
compound 66 [PMID: 19788238] ()
P&D ID
PD050880
Tags
drug candidate
Drug indication
Discovery agent
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 Compound 66 is reported as a potent ephrin receptor inhibitor designed as part of a structure-based optimisation study . Compound 66 inhibits all ephrin receptors except EphA7 (1118nM) with low nanomolar IC50s (1-40nM) . Modelling suggests that EphA7 is an outlier as it has a bulky isoleucine residue at its gatekeeper position, compared to a smaller threonine in this position in all of the other ephrin receptors. (GtoPdb)
Cell lines
4
Organisms
0
Compound Sets
6
Concise Guide to Pharmacology 2017/18
8141
Concise Guide to Pharmacology 2019/20
8141
Concise Guide to Pharmacology 2021/22
8141
Concise Guide to Pharmacology 2023/24
8141
DrugMAP
DMCVJK9
Guide to Pharmacology
8141
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
417.14
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
5
cLogP
2.35
TPSA
106.55
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data