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Compound Detail

CHEMBL3787126

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Cc1ccn2c1C(=O)N[C@@H]1[C@H]2C[C@]2(O)[C@H]1NC(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787126
Phase Preclinical
Structure Type MOL
InChI Key BDZFIZSFOALSGI-QKBQYUARSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
-0.43
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O3
MW 276.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
26951751 10.1016/j.bmcl.2016.02.051 HeLa 1
26951751 10.1016/j.bmcl.2016.02.051 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine