EcoDrugPlus


Synonyms	ACH-0145228 ACH-5228 Ach-0145228 Vemircopan
Status
Molecule Category	Free-form
UNII	HN6I4K50QB

Synonyms

ACH-0145228

ACH-5228

Ach-0145228

Vemircopan

Status

Molecule Category

Free-form

UNII

HN6I4K50QB


InChI Key	OCXAGXCMZACNEC-CTWZREHQSA-N
Smiles	CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(C)nc3)cc12
InChI	InChI=1S/C29H28BrN7O3/c1-15-5-8-24(30)33-27(15)34-28(40)22-10-29(4)11-23(29)37(22)25(39)14-36-21-7-6-18(19-12-31-17(3)32-13-19)9-20(21)26(35-36)16(2)38/h5-9,12-13,22-23H,10-11,14H2,1-4H3,(H,33,34,40)/t22-,23+,29-/m0/s1

InChI Key

OCXAGXCMZACNEC-CTWZREHQSA-N

Smiles

CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(C)nc3)cc12

InChI

InChI=1S/C29H28BrN7O3/c1-15-5-8-24(30)33-27(15)34-28(40)22-10-29(4)11-23(29)37(22)25(39)14-36-21-7-6-18(19-12-31-17(3)32-13-19)9-20(21)26(35-36)16(2)38/h5-9,12-13,22-23H,10-11,14H2,1-4H3,(H,33,34,40)/t22-,23+,29-/m0/s1

Property Name	Value
Molecular Formula	C29H28BrN7O3
Molecular Weight	602.49
AlogP	4.49
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	122.97
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	40.0

Property Name

Value

Molecular Formula

C29H28BrN7O3

Molecular Weight

602.49

AlogP

4.49

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

122.97

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

40.0

Resources	Reference
ChEMBL	CHEMBL4650325
FDA SRS	HN6I4K50QB

Resources

Reference

ChEMBL

CHEMBL4650325

FDA SRS

HN6I4K50QB

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

VEMIRCOPAN

Structure

Physicochemical Descriptors

Cross References