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Compound Detail

CHEMBL2371460

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)[C@@H](C)CC)C(=O)O

Basic Information

ChEMBL ID CHEMBL2371460
Phase Preclinical
Structure Type BOTH
InChI Key YVNCKECYOCCZFX-OPXQPRFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

911.1
MW (Da)
-0.17
ALogP
11
HBA
10
HBD
331.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H70N12O9
MW 911.12
Aromatic Rings 2
Heavy Atoms 65
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
4009600 10.1021/jm00383a015 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine