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Compound Detail

CHEMBL4597456

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597456
Phase Preclinical
Structure Type MOL
InChI Key VNECKQOAIYIWKC-VGPFALITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

831.0
MW (Da)
-0.84
ALogP
10
HBA
13
HBD
330.1
PSA (Ų)
0.03
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H66N12O8
MW 831.03
Aromatic Rings 1
Heavy Atoms 59
NP-Likeness 0.15

Data from ChEMBL 36 via Core Engine