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Compound Detail

CHEMBL1163632

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O=C1c2ccccc2NC(c2ccccc2)N1/N=C/c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163632
Phase Preclinical
Structure Type MOL
InChI Key NNSPVTLAHFOOTM-OEAKJJBVSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.8
MW (Da)
4.94
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.67
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 C21H16ClN3O
MW 361.83
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.98

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 2

Data from ChEMBL 36 via Core Engine