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Compound Detail

CHEMBL4302656

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COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@@H](N)Cc1ccccc1)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302656
Phase Preclinical
Structure Type MOL
InChI Key SGTSRQNHPGQOHM-JSSJSZTNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

704.9
MW (Da)
4.61
ALogP
10
HBA
4
HBD
174.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H52N6O7
MW 704.87
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine