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Compound Detail

CHEMBL1998496

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CC(=N)C1=C(O)C2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1998496
Phase Preclinical
Structure Type MOL
InChI Key SJYCIBPVJJQRSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
2.58
ALogP
7
HBA
4
HBD
127.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO6
MW 343.34
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.88

Data from ChEMBL 36 via Core Engine