General
Preferred name
PMID21493067C1d
Synonyms
compound 1d [PMID: 21493067] ()
P&D ID
PD051591
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 1d is a moderately selective JAK2 inhibitor . (GtoPdb)
Compound Sets
6
Concise Guide to Pharmacology 2017/18
8123
Concise Guide to Pharmacology 2019/20
8123
Concise Guide to Pharmacology 2021/22
8123
Concise Guide to Pharmacology 2023/24
8123
DrugMAP
DMFUQIT
Guide to Pharmacology
8123
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
355.14
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
3.57
TPSA
102.31
Fraction CSP3
0.18
Chiral centers
1.0
Largest ring
6.0
QED
0.65
QED
0.65
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data