General
Preferred name
RO4938581
Synonyms
3-bromo-10-(difluoromethyl)-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine ()
Ro-4938581 ()
RO 4938581 ()
P&D ID
PD051484
CAS
883093-10-5
Tags
free of charge
available
probe
drug candidate
Drug indication
Discovery agent
Probe info
Probe type
experimental probe
Probe selectivity
protein-selective
Probe sources
High-quality chemical probes
Open Science Probes
Probe targets
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 RO 4938581 is a potent and selective GABAA ¦Á5 inverse agonist, with a Ki of 4.6 nM for GABAA ¦Á5¦Â3¦Ã2a, and shows a lower affinity at ¦Á1¦Â3¦Ã2a, ¦Á2¦Â3¦Ã2a, ¦Á3¦Â3¦Ã2a (Ki, 174, 185, 80 nM, respectively); RO 4938581 is used in the research of cognitive dysfunction.
DESCRIPTION Ro 4938581 is a potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction, Ki= 4.6 nM. (Enamine Bioactive Compounds)
Compound Sets
11
Concise Guide to Pharmacology 2017/18
4299
Concise Guide to Pharmacology 2019/20
4299
Concise Guide to Pharmacology 2021/22
4299
Concise Guide to Pharmacology 2023/24
4299
DrugMAP
DMCB2N9
Enamine Bioactive Compounds
EBC-14756
Enamine BioReference Compounds
Guide to Pharmacology
4299
High-quality chemical probes
PD051484
MedChem Express Bioactive Compound Library
HY-107489
Open Science Probes
RO4938581
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
350.99
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
3
cLogP
3.19
TPSA
48.53
Fraction CSP3
0.15
Chiral centers
0.0
Largest ring
7.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Control name
RO4991571
Target
GABRA5
GABA Receptor
Source data