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Compound Detail

CHEMBL3302072

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CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN=C(N)N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3302072
Phase Preclinical
Structure Type MOL
InChI Key APGABOCHNPKHDM-XYPUQJIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

833.0
MW (Da)
2.48
ALogP
9
HBA
9
HBD
268.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H64N10O7
MW 833.05
Aromatic Rings 3
Heavy Atoms 60
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine