EcoDrugPlus


Synonyms	Enzastaurin hcl Enzastaurin hydrochloride Enzastaurin monohydrochloride LY-317615 HYDROCHLORIDE LY317615 HYDROCHLORIDE
Status
Molecule Category	Salt-form
UNII	KX7K68Z2UH
EPA CompTox	DTXSID70189477
Parent Compound:	ENZASTAURIN

Synonyms

Enzastaurin hcl

Enzastaurin hydrochloride

Enzastaurin monohydrochloride

LY-317615 HYDROCHLORIDE

LY317615 HYDROCHLORIDE

Status

Molecule Category

Salt-form

UNII

KX7K68Z2UH

EPA CompTox

DTXSID70189477

Parent Compound:

ENZASTAURIN


InChI Key	UUADYKVKJIMIPA-UHFFFAOYSA-N
Smiles	Cl.Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChI	InChI=1S/C32H29N5O2.ClH/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21;/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39);1H

InChI Key

UUADYKVKJIMIPA-UHFFFAOYSA-N

Smiles

Cl.Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21

InChI

InChI=1S/C32H29N5O2.ClH/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21;/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39);1H

Property Name	Value
Molecular Formula	C32H30ClN5O2
Molecular Weight	552.08
AlogP	4.93
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	72.16
Molecular species	NEUTRAL
Aromatic Rings	5.0
Heavy Atoms	39.0

Property Name

Value

Molecular Formula

C32H30ClN5O2

Molecular Weight

552.08

AlogP

4.93

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

72.16

Molecular species

NEUTRAL

Aromatic Rings

5.0

Heavy Atoms

39.0

Resources	Reference
ChEMBL	CHEMBL2107337
FDA SRS	KX7K68Z2UH
PubChem	176166
SureChEMBL	SCHEMBL4325665

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

ENZASTAURIN HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References