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Compound Detail

CHEMBL1207344

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C/C=C1/C(=O)N2C(C(=O)O)=C3[C@@H](OCCC#N)CCC[C@@H]3[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207344
Phase Preclinical
Structure Type MOL
InChI Key FUPMZGCETKRXTR-FFKCEWRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.59
ALogP
4
HBA
1
HBD
90.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O4
MW 302.33
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.55

Data from ChEMBL 36 via Core Engine