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Compound Detail

CHEMBL1194359

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COC(=O)c1c(C)[nH]c2c1C1C(=CC2OC(=O)N2CCN(C)CC2)N(C(=O)/C=C/c2ccc(OC)c(N)c2)C[C@H]1CBr
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194359
Phase Preclinical
Structure Type MOL
InChI Key INFAUBMYNBDWLH-NHECFCRHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

642.5
MW (Da)
3.67
ALogP
8
HBA
2
HBD
130.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36BrN5O6
MW 642.55
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine