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Compound Detail

CHEMBL2158176

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Cc1ccn2c(=O)c(NC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158176
Phase Preclinical
Structure Type MOL
InChI Key ZFYYLXBWLUZSDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
3.94
ALogP
5
HBA
1
HBD
70.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N5O2
MW 453.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2

Data from ChEMBL 36 via Core Engine