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Compound Detail

CHEMBL4858354

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858354
Phase Preclinical
Structure Type MOL
InChI Key RHLYDTGNWJHTIT-VWFJRZIZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

739.8
MW (Da)
-0.80
ALogP
9
HBA
12
HBD
323.4
PSA (Ų)
0.03
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H49N11O8
MW 739.84
Aromatic Rings 3
Heavy Atoms 53
NP-Likeness 0.20

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
34510899 10.1021/acs.jmedchem.1c00852 High mobility group protein B1 1

Data from ChEMBL 36 via Core Engine