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Compound Detail

CHEMBL1185951

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NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185951
Phase Preclinical
Structure Type MOL
InChI Key MZSPTXWMNFCZAM-OQBISYOISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

646.8
MW (Da)
4.92
ALogP
4
HBA
4
HBD
123.6
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H46N6O3
MW 646.84
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine