GLASDEGIB MALEATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TH2EV99S4Z

Structure
InChI Key VJCVKWFBWAVYOC-UIXXXISESA-N
Smile CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C21H22N6O.C4H4O4/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20;5-3(6)1-2-4(7)8/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,19-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26N6O5
Molecular Weight 490.52
AlogP 3.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 96.84
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Smoothened homolog antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.23
Infections and infestations
13.64
Vascular disorders
11.04
Respiratory, thoracic and mediastinal disorders
9.74
Blood and lymphatic system disorders
8.44
Gastrointestinal disorders
7.79
Investigations
5.84
Nervous system disorders
5.19
Cardiac disorders
4.55
Metabolism and nutrition disorders
4.55
Injury, poisoning and procedural complications
3.9
Hepatobiliary disorders
3.25
Renal and urinary disorders
3.25

Cross References

Resources Reference
ChEMBL CHEMBL4297534
FDA SRS TH2EV99S4Z
PubChem 122640033
SureChEMBL SCHEMBL18171548
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