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Compound Detail

CHEMBL1163171

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Cc1nc2ccccc2c(=O)n1NC(=O)CCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163171
Phase Preclinical
Structure Type MOL
InChI Key VCMWUZCYIYMJBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

251.7
MW (Da)
1.01
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.81
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 C11H10ClN3O2
MW 251.67
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 1
- 10.1007/s00044-012-0213-9 Leishmania donovani 1
- 10.1007/s00044-012-0213-9 SF-268 1
- 10.1007/s00044-012-0213-9 NCI-H460 1
- 10.1007/s00044-012-0213-9 MCF7 1

Data from ChEMBL 36 via Core Engine