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Compound Detail

CHEMBL6068334

SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE
💊 Approved Drug
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💊 Approved Drug
Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6068334
Name SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE
Phase Approved
Structure Type MOL
InChI Key YPULIQLVSSZRST-KLQYNRQASA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1422
Active Moiety CHEMBL1422

Known Names

Sitagliptin accord Sitagliptin hydrochloride monohydrate
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
2
Known Names
1
Indications
1
Mechanisms

Molecular Properties

407.3
MW (Da)
2.02
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2022
Availability Unknown
Chirality Single Enantiomer
USAN Stem -gliptin

Extended Properties

Molecular Formula C16H18ClF6N5O2
MW 461.79
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.40

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dipeptidyl peptidase IV inhibitor INHIBITOR Dipeptidyl peptidase 4 ✓ ✓

Indications

Diabetes Mellitus, Type 2

Data from ChEMBL 36 via Core Engine