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Compound Detail

CHEMBL1255903

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CC1=NN(C=O)C(c2ccccc2O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1255903
Phase Preclinical
Structure Type MOL
InChI Key JCUPNQMJPGSMQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.67
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.74
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 C11H12N2O2
MW 204.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
20800480 10.1016/j.bmcl.2010.08.017 SGC-7901 1
20800480 10.1016/j.bmcl.2010.08.017 PC-3 1
20800480 10.1016/j.bmcl.2010.08.017 A-431 1
20800480 10.1016/j.bmcl.2010.08.017 DNA polymerase I, thermostable 1
20800480 10.1016/j.bmcl.2010.08.017 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine