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Compound Detail

CHEMBL191011

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O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191011
Phase Preclinical
Structure Type MOL
InChI Key DNHODRZUCGXYKU-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.42
ALogP
2
HBA
4
HBD
89.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O2
MW 372.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
22617493 10.1016/j.bmcl.2012.04.119 A2780 2
15896956 10.1016/j.bmcl.2005.04.031 Calpain-1 catalytic subunit 1
17418579 10.1016/j.bmc.2007.03.040 ADMET 1
17418579 10.1016/j.bmc.2007.03.040 No relevant target 1
10843594 10.1021/np9903853 HeLa 1
10843594 10.1021/np9903853 L929 1
10843594 10.1021/np9903853 K562 1
22617493 10.1016/j.bmcl.2012.04.119 K562 1

Data from ChEMBL 36 via Core Engine