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Compound Detail

CHEMBL4792086

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CC1(O)CCN(c2nc(NCC#N)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4792086
Phase Preclinical
Structure Type MOL
InChI Key CEHBIBLENWFZLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
3.84
ALogP
7
HBA
3
HBD
101.3
PSA (Ų)
0.54
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 C22H23N5O2S
MW 421.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
33246256 10.1016/j.bmc.2020.115878 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 1

Data from ChEMBL 36 via Core Engine