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Compound Detail

CHEMBL301947

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CCc1cn(C2COC(CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301947
Phase Preclinical
Structure Type MOL
InChI Key MQIOVDMRXPEOOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
-1.04
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O5
MW 242.23
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80870-2 ADMET 2
- 10.1016/S0960-894X(01)80870-2 Vero 1
- 10.1016/S0960-894X(01)80870-2 MT4 1
- 10.1016/S0960-894X(01)80870-2 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine