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Compound Detail

CHEMBL4645075

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Cc1oc2ccccc2c1C(=O)NCCCn1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645075
Phase Preclinical
Structure Type MOL
InChI Key HXYYIKCORLEXAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.76
ALogP
4
HBA
1
HBD
60.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O2
MW 283.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
32125853 10.1021/acs.jmedchem.9b01783 NCI-H1975 1

Data from ChEMBL 36 via Core Engine