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Compound Detail

CHEMBL1812654

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N#CCc1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL1812654
Phase Preclinical
Structure Type MOL
InChI Key DMCPFOBLJMLSNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
2.23
ALogP
1
HBA
1
HBD
39.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H8N2
MW 156.19
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
21726069 10.1021/jm2006782 Tryptophan 2,3-dioxygenase 1
21726069 10.1021/jm2006782 NON-PROTEIN TARGET 1
22694318 10.1021/np3002833 A549 1
22694318 10.1021/np3002833 BGC-823 1
22694318 10.1021/np3002833 MCF7 1
22694318 10.1021/np3002833 Bel-7402 1
22694318 10.1021/np3002833 KETR3 1
22694318 10.1021/np3002833 HCT-8 1
22694318 10.1021/np3002833 Human immunodeficiency virus 1 1
22694318 10.1021/np3002833 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine