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Compound Detail

CHEMBL1186630

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COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186630
Phase Preclinical
Structure Type MOL
InChI Key DZUVNHCPBQMKOA-VWNXMTODSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
2.45
ALogP
5
HBA
3
HBD
117.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O4
MW 476.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine