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Compound Detail

CHEMBL41079

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NCc1ccc2c(c1)Cc1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41079
Phase Preclinical
Structure Type MOL
InChI Key GYSPZWULTNUUEJ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
2.72
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N
MW 195.26
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.18

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
18052116 10.1021/jm701207m DNA 3
11412985 10.1016/s0960-894x(01)00245-1 Phenylethanolamine N-methyltransferase 2
11412985 10.1016/s0960-894x(01)00245-1 Unchecked 1
18052116 10.1021/jm701207m SK-BR-3 1
18052116 10.1021/jm701207m Caspase-3 1
18052116 10.1021/jm701207m Caspase-7 1

Data from ChEMBL 36 via Core Engine